SCHEMBL9614852

SCHEMBL9614852

CCOC(=O)CCCCc1ccc2ccccc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.63
CYP4A11 Q02928 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TNF P01375 1/20 0.51
CNR1 P21554 2/20 0.47
TOP2A P11388 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL7829068 0.99 CYP4F2 (0.61) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9614835 0.91 CYP4F2 (0.60) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL27674003 0.83 CYP4F2 (0.65) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9748816 0.81 TDP1 (0.49) TDP1L3MBTL1
SCHEMBL7831168 0.81 CYP1A1 (0.54) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9749184 0.80 CYP1A2 (0.57) SMN1; SMN2CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL9749632 0.80 MTNR1A (0.50)
SCHEMBL9748985 0.80 CYP4F2 (0.54) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL14125322 0.78 CYP1A2 (0.59) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2005766 0.78 TYR (0.51)

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