SCHEMBL9750351

SCHEMBL9750351

COc1c(Cc2ccccc2)cc(S(N)(=O)=O)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CYP2C9 P11712 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLA P06280 1/20 0.39
SLC2A1 P11166 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL9748451 0.86 GPR55 (0.42) CNR2GPR55GLASLC2A1KDM4E
SCHEMBL9749512 0.86 SLC2A1 (0.43) CNR2GPR55SLC2A1ALDH1A1
SCHEMBL9748732 0.78 CYP2C9 (0.57) CYP2C9MCL1HSD17B10
SCHEMBL9749737 0.78 GPR55 (0.47) CNR2GPR55KDM4EALDH1A1MAPK1
SCHEMBL9749291 0.75 CNR2 (0.43) CNR2GPR55ALDH1A1
SCHEMBL9749576 0.75 CNR2 (0.44) CNR2GPR55KDM4EALDH1A1MAPK1
SCHEMBL9748849 0.74 PTPN1 (0.47) CNR2GPR55CYP2C9
SCHEMBL29799247 0.74 MTNR1A (0.52) GPR55CA1CA2ALDH1A1MAPK1
SCHEMBL7015694 0.74 MTNR1A (0.52) GPR55CA1CA2ALDH1A1MAPK1
SCHEMBL407413 0.70 CA2 (0.50) CYP2C9CA1CA2CA9CA12

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