SCHEMBL9749115

SCHEMBL9749115

COC(=O)CCCC#CCc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
SLC2A1 P11166 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10916971 0.89 CYP1A2 (0.44) CYP1A2CYP2C19MAPTKDM4E
SCHEMBL9749060 0.83 PPARG (0.45) PPARGPPARACNR2CNR1ALDH1A1
SCHEMBL9614839 0.81 PPARG (0.43) PPARGPPARACNR2CNR1ALDH1A1
SCHEMBL11135656 0.80 CYP1A2 (0.48) PPARGPPARACNR2CNR1ALDH1A1
SCHEMBL11135839 0.77 LMNA (0.48) PPARGPPARAALDH1A1TSHRLMNA
SCHEMBL9975526 0.73 PPARG (0.45) PPARGPPARAALDH1A1USP2TSHR
SCHEMBL9748985 0.73 CYP4F2 (0.54) PPARGPPARACNR1SLC2A1CYP1A2
SCHEMBL5113336 0.72 NPC1 (0.43) HPGDLMNACYP1A2MAPT
SCHEMBL5113606 0.72 TDP1 (0.53) ALDH1A1HSD17B10HPGDMAPTKDM4E
SCHEMBL9749487 0.72 PTGER1 (0.53) SLC2A1CYP1A2CYP2C19MAPT

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