SCHEMBL7417625

SCHEMBL7417625

O=C(O)COc1cccc(Cc2ncc[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.55
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.45
PLA2G10 O15496 1/20 0.45
PLA2G2A P14555 1/20 0.45
FFAR1 O14842 1/20 0.43
HTR1A P08908 1/20 0.43
PTPN7 P35236 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MAPK1 P28482 1/20 0.41
FABP4 P15090 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
Hydrochloric Acid SCHEMBL10944343 0.99 TAAR1 (0.54) TAAR1PPARAPPARGLMNAALOX15
SCHEMBL10948045 0.85 PPARA (0.57) TAAR1PPARAPPARGHTR1AMAPK1
SCHEMBL10852193 0.83 TAAR1 (0.57) TAAR1PPARAALOX15FFAR1PTPN7
Hydrochloric Acid SCHEMBL10854378 0.82 TAAR1 (0.55) TAAR1PPARAALOX15FFAR1PTPN7
Fumaric Acid SCHEMBL10946481 0.82 PPARA (0.51) TAAR1PPARAPPARGHTR1AMAPK1
Hydrochloric Acid SCHEMBL10854139 0.81 TAAR1 (0.54) TAAR1PPARAALOX15FFAR1PTPN7
SCHEMBL4416402 0.78 PLA2G10 (0.64) PPARAPPARGLMNAALOX15PLA2G10
SCHEMBL9853966 0.78 TAAR1 (0.61) TAAR1HTR1A
SCHEMBL31414967 0.78 TAAR1 (0.75) TAAR1LMNAALOX15HTR1A
SCHEMBL11474531 0.76 TBXAS1 (0.56) TAAR1PLA2G10PLA2G2AHTR1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed
US-4632934-A THROMBOXANE SYNTHETASE INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1986-12-30 US disclosed
US-4555516-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1985-11-26 US disclosed
US-4448781-A CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1984-05-15 US disclosed