SCHEMBL9614835

SCHEMBL9614835

CCOC(=O)CCc1ccc2ccccc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.60
CYP4A11 Q02928 2/20 0.60
CDYL Q9Y232 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
TNF P01375 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL9614852 0.91 CYP4F2 (0.63) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL7829068 0.89 CYP4F2 (0.61) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL2302173 0.84 CYP4F2 (0.69) CYP4F2CYP4A11CDYLCYP1A2CYP3A4
SCHEMBL2435255 0.79 CYP4F2 (0.63) CYP4F2CYP4A11CDYLCYP1A2CYP3A4
SCHEMBL9748816 0.79 TDP1 (0.49)
SCHEMBL9748786 0.79 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL27674003 0.78 CYP4F2 (0.65) CYP4F2CYP4A11CDYLCYP1A2CYP3A4
SCHEMBL69660 0.78 CYP4F2 (0.86) CYP4F2CYP4A11CDYLCYP1A2CYP3A4
SCHEMBL490361 0.77 CYP4F2 (0.55) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL18892727 0.77 MTNR1A (0.50)

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