SCHEMBL8992197

SCHEMBL8992197

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
PPARA Q07869 4/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47
PTPN1 P18031 2/20 0.45
TP53 P04637 4/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 3/20 0.43

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
SCHEMBL6157744 0.88 FFAR1 (0.53) PPARGPPARAPTPN1TP53POLB
SCHEMBL9260216 0.81 PPARG (0.53) PPARGPPARACYP2C9KCNH2PTPN1
SCHEMBL5759859 0.80 PPARG (0.63) PPARGPPARAPTPN1
SCHEMBL8545784 0.79 PPARG (0.55) PPARGPPARACYP2C9KCNH2PTPN1
SCHEMBL6972900 0.79 CDK4 (0.56) PPARGPPARAPTPN1TP53POLB
SCHEMBL6972899 0.79 CDK4 (0.56) PPARGPPARAPTPN1TP53POLB
SCHEMBL9092427 0.78 PPARG (0.45) PPARGPPARAPOLB
SCHEMBL7897429 0.78 PPARG (0.61) PPARGPPARAPTPN1
SCHEMBL27636490 0.77 TP53 (0.56) PPARGPPARACYP2C9KCNH2PTPN1
SCHEMBL8799608 0.76 PPARG (0.61) PPARGPPARACYP2C9KCNH2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510360-A ADMINISTERING ORALLY, SIDE EFFECT REDUCTION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-23 US disclosed
US-5504097-A TREATING ATHEROSCLEROSIS BY ADMINISTERING AN ANTILIPEMIC OR ANTICHOLESTEROL AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-02 US disclosed