SCHEMBL8413205

SCHEMBL8413205

CC(N)c1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
PPARG P37231 9/20 0.56
FABP2 P12104 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
PPARD Q03181 2/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
CYP2C9 P11712 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
ITGB3 P05106 1/20 0.46

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
SCHEMBL5331306 0.87 PPARA (0.56) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL12777729 0.86 PPARA (0.68) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL10714994 0.84 PPARA (0.61) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL5321702 0.82 PPARA (0.55) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL5322553 0.81 PPARA (0.57) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL24936089 0.80 TSHR (0.58) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL5325047 0.79 PPARA (0.55) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL787522 0.78 PPARA (0.67) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL2034762 0.77 SLC6A4 (0.53) CYP2C19CYP1A2CYP2D6TSHRALDH1A1
SCHEMBL2031199 0.77 SLC6A4 (0.53) CYP2C19CYP1A2CYP2D6TSHRALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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