SCHEMBL9748849

SCHEMBL9748849

COc1c(Cc2ccccc2)cc(C(=O)O)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.47
PTPN2 P17706 1/20 0.47
PTPN6 P29350 1/20 0.47
HMGB1 P09429 1/20 0.45
CXCL12 P48061 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
CNR2 P34972 3/20 0.45
CNR1 P21554 2/20 0.45
GPR55 Q9Y2T6 1/20 0.44
APEX1 P27695 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43

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
SCHEMBL9749291 0.89 CNR2 (0.43) CNR2CNR1GPR55
SCHEMBL9978601 0.83 USP2 (0.50) HMGB1CXCL12
SCHEMBL28123212 0.82 PTPN1 (0.47) PTPN1PTPN2PTPN6CNR2CNR1
SCHEMBL9750220 0.81 LMNA (0.44) CNR2CNR1
SCHEMBL9192926 0.79 PTPN1 (0.61) PTPN1PTPN2PTPN6CNR2CNR1
SCHEMBL9748865 0.78 PTPN1 (0.64) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9749512 0.77 SLC2A1 (0.43) CNR2CNR1GPR55
SCHEMBL9515371 0.77 MAPT (0.44)
SCHEMBL9749737 0.77 GPR55 (0.47) CNR2GPR55
SCHEMBL9749576 0.77 CNR2 (0.44) CNR2CNR1GPR55

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