SCHEMBL6558005

SCHEMBL6558005

CC(C)(Oc1ccc(NC(=O)Oc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.69
CYP1A2 P05177 4/20 0.69
CYP3A4 P08684 4/20 0.69
CYP2C19 P33261 3/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP2D6 P10635 2/20 0.69
MAPT P10636 2/20 0.69
PPARG P37231 3/20 0.61
FABP2 P12104 2/20 0.61
SLC22A12 Q96S37 1/20 0.61
CYP2C9 P11712 2/20 0.54
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PPARD Q03181 3/20 0.51
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6558040 0.89 ALDH1A1 (0.63) PPARACYP1A2CYP3A4CYP2C19MEN1
Clofibric Acid SCHEMBL2227936 0.83 PPARA (1.00) PPARACYP1A2CYP3A4CYP2C19MEN1
Clofibric Acid SCHEMBL102826 0.83 PPARA (1.00) PPARACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL12166209 0.83 PPARA (0.69) PPARACYP1A2CYP3A4CYP2C19MEN1
Clofibric Acid SCHEMBL11798234 0.82 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MEN1
Clofibric Acid SCHEMBL11798397 0.82 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MEN1
Clofibric Acid SCHEMBL317991 0.82 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MEN1
Clofibric Acid SCHEMBL10634899 0.82 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MEN1
Clofibric Acid SCHEMBL28722594 0.82 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MEN1
Clofibric Acid SCHEMBL28571877 0.82 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5122539-A Allosteric hemoglobin modifiers useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-06-16 US claimed
EP-1468680-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2004-10-20 EP disclosed
EP-1236711-B1 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood UNIV VIRGINIA COMMONWEALTH (US) 2004-03-03 EP disclosed
EP-1236711-A2 Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood Virginia Commonwealth University Intellectual Property Foundation, Inc. (US) 2002-09-04 EP disclosed
US-5927283-A TREATING DISEASES INVOLVING OXYGEN DEFICIENCY, IN WOUND HEALING, AND IN RESTORING OXYGEN AFFINITY OF STORED BLOOD. VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-27 US disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 US disclosed
US-5591892-A CARBOXYALKOXYPHENYL SUBSTITUTED INDANES CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-01-07 US disclosed
EP-0471811-B1 ALLOSTERIC HEMOGLOBIN MODIFIERS INNOVATIVE TECH CENTER (US) 1995-12-27 EP disclosed
US-5432191-A Ring-substituted phenoxymethyl /or substituted methyl/ carboxylates THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1995-07-11 US disclosed
EP-0585366-A4 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD. CT FOR INNOVATIVE TECHNOLOGY (US) 1994-03-17 EP disclosed
EP-0585366-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-03-09 EP disclosed
US-5290803-A Using allosteric hemoglobin modifiers to decrease oxygen affinity in blood THE CENTER OF INNOVATIVE TECHNOLOGY (US) 1994-03-01 US disclosed
US-5250701-A 2-(Phthalomidomethylphenoxyalkanoic acid or ester; wound healing agents; antiischemic agents; blood storage; antidepressants; Alzheimer's disease; schizophrenia CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-10-05 US disclosed
WO-1992020335-A1 USING ALLOSTERIC HEMOGLOBIN MODIFIERS TO DECREASE OXYGEN AFFINITY IN BLOOD CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-11-26 WO disclosed
US-5049695-A Substituted diphenyl carbamates CENTER FOR INNOVATIVE TECHNOLOGY (US) 1991-09-17 US disclosed