SCHEMBL9748451

SCHEMBL9748451

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.42
CNR2 P34972 2/20 0.42
SLC2A1 P11166 1/20 0.41
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
GLA P06280 1/20 0.37
CNR1 P21554 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL9749512 0.86 SLC2A1 (0.43) GPR55CNR2SLC2A1ALDH1A1CNR1
SCHEMBL9750351 0.86 CNR2 (0.42) GPR55CNR2SLC2A1KDM4EALDH1A1
SCHEMBL9749737 0.75 GPR55 (0.47) GPR55CNR2KDM4EALDH1A1MAPK1
SCHEMBL9749576 0.75 CNR2 (0.44) GPR55CNR2KDM4EALDH1A1MAPK1
SCHEMBL9110910 0.74 MCL1 (0.54) KDM4EALDH1A1FABP4FABP5
SCHEMBL9748849 0.74 PTPN1 (0.47) GPR55CNR2CNR1
SCHEMBL9749291 0.72 CNR2 (0.43) GPR55CNR2ALDH1A1CNR1
SCHEMBL2097755 0.70 LTA4H (0.53) GPR55CNR2CNR1LTA4H
SCHEMBL5680692 0.70 BCL2 (0.45) ALDH1A1
SCHEMBL29044911 0.69 P2RY4 (0.40) GPR55CNR2SMN1; SMN2GLACNR1

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