SCHEMBL9749060

SCHEMBL9749060

COC(=O)CCCC#CC(O)c1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
PPARA Q07869 6/20 0.45
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9749115 0.83 PPARG (0.41) PPARGPPARACNR2CNR1USP2
SCHEMBL10908903 0.75 PPARG (0.46) PPARGPPARAALDH1A1TSHRLMNA
SCHEMBL10916971 0.72 CYP1A2 (0.44)
SCHEMBL11135656 0.68 CYP1A2 (0.48) PPARGPPARACNR2CNR1ALDH1A1
SCHEMBL9614839 0.68 PPARG (0.43) PPARGPPARACNR2CNR1ALDH1A1
SCHEMBL11135839 0.67 LMNA (0.48) PPARGPPARAALDH1A1TSHRLMNA
SCHEMBL9748985 0.65 CYP4F2 (0.54) PPARGPPARACNR1
SCHEMBL1681386 0.64 WDR5 (0.53) ALDH1A1
SCHEMBL1860911 0.64 FFAR1 (0.64) ALDH1A1
SCHEMBL22610032 0.64 CNR2 (0.65) PPARGPPARACNR2CNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP disclosed
US-5026759-A Antiinflammatory agents respiratory system disorders DU PONT MERCK PHARMACEUTICAL (US) 1991-06-25 US disclosed
US-4985442-A ANTIINFLAMMATORY, LUNG DISEASES, PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4985435-A TREATMENT OF INFLAMMATION, OBSTRUCTIVE LUNG DISEASES AND PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4906636-A 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
US-4833164-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-23 US disclosed
EP-0201071-A2 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1986-11-12 EP disclosed