SCHEMBL8269751

SCHEMBL8269751

CC(C)(Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.73
HPGD P15428 1/20 0.67
RAB9A P51151 3/20 0.65
LMNA P02545 2/20 0.65
PPARD Q03181 3/20 0.60
PPARG P37231 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
FABP2 P12104 1/20 0.60
EPHX2 P34913 3/20 0.59
NR1H4 Q96RI1 3/20 0.59
MAPK14 Q16539 3/20 0.58
NPC1 O15118 2/20 0.58
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP3A4 P08684 1/20 0.54

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
SCHEMBL3690900 0.89 PPARA (0.74) PPARARAB9ALMNAPPARDPPARG
SCHEMBL9119026 0.89 PPARA (0.74) PPARARAB9ALMNAPPARDPPARG
SCHEMBL6558046 0.88 PPARA (0.93) PPARARAB9APPARDPPARGSMN1; SMN2
SCHEMBL9119675 0.88 PPARA (0.93) PPARARAB9APPARDPPARGSMN1; SMN2
SCHEMBL4615722 0.84 MAPK14 (0.74) PPARAHPGDPPARDPPARGSMN1; SMN2
SCHEMBL27920874 0.83 MAPK14 (0.74) PPARAHPGDRAB9ALMNAPPARG
SCHEMBL9120807 0.82 PPARA (0.71) PPARALMNAPPARDPPARGSMN1; SMN2
SCHEMBL6555955 0.82 PPARA (0.71) PPARALMNAPPARDPPARGSMN1; SMN2
SCHEMBL8609571 0.82 PPARA (0.76) PPARARAB9ALMNAPPARDPPARG
SCHEMBL1304938 0.82 PPARA (0.74) PPARAPPARDPPARGSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046170-A Therapeutic use of hemoglobin to treat head injury BAXTER INTERNATIONAL, INC. (US) 2000-04-04 US disclosed
US-5970985-A SEPSIS PREVENTION BAXTER INTERNATIONAL, INC. (US) 1999-10-26 US 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
WO-1999023967-A1 USE OF HEMOGLOBIN TO TREAT SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BAXTER INTERNATIONAL INC. (US) 1999-05-20 WO disclosed
WO-1999018979-A1 STORAGE-STABLE HEMOGLOBIN COMPOSITION BAXTER INTERNATIONAL INC. (US) 1999-04-22 WO disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 US disclosed
US-5854210-A Use of cross-linked hemoglobin in treating subarachnoid hemorrhage BAXTER INTERNATIONAL INC. (US) 1998-12-29 US disclosed
US-5804551-A STROMA-FREE MODIFIED HEMOGLOBIN; IMPROVING RECOVERY BAXTER INTERNATIONAL INC. (US) 1998-09-08 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
US-5382680-A Allosteric hemoglobin modifier compounds THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1995-01-17 US disclosed