SCHEMBL9614839

SCHEMBL9614839

COC(=O)CCCC#CCc1ccc2ccccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
FAAH O00519 1/20 0.39

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
SCHEMBL11135656 0.86 CYP1A2 (0.48) PPARGPPARACYP1A2CYP2C19ALDH1A1
SCHEMBL9749675 0.85 CYP1A2 (0.48) CYP1A2CYP2C19FAAH
SCHEMBL9749115 0.81 PPARG (0.41) PPARGPPARACYP1A2CYP2C19ALDH1A1
SCHEMBL11460264 0.76 L3MBTL1 (0.48)
SCHEMBL9365846 0.75 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1MAPTHPGD
SCHEMBL9366093 0.75 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1MAPTHPGD
SCHEMBL11135839 0.74 LMNA (0.48) PPARGPPARACYP1A2CYP2C19ALDH1A1
SCHEMBL9361930 0.74 ALDH1A1 (0.43) CYP1A2CYP2C19ALDH1A1MAPTHPGD
SCHEMBL28309323 0.72 ALDH1A1 (0.57) CYP1A2CYP2C19ALDH1A1MAPTHPGD
SCHEMBL9362087 0.72 CYP1A2 (0.43) CYP1A2CYP2C19ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493404-A4 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION 1992-08-12 EP claimed
EP-0493404-A1 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-07-08 EP claimed
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP claimed
US-5091379-A Dermatitis, side effect reduction DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-02-25 US claimed
WO-1991003227-A1 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-03-21 WO claimed
EP-0201071-A2 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1986-11-12 EP claimed
EP-0493404-A4 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION 1992-08-12 EP disclosed
EP-0493404-A1 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-07-08 EP disclosed
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP disclosed
US-5091379-A Dermatitis, side effect reduction DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-02-25 US disclosed
US-5026759-A Antiinflammatory agents respiratory system disorders DU PONT MERCK PHARMACEUTICAL (US) 1991-06-25 US disclosed
WO-1991003227-A1 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-03-21 WO 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