SCHEMBL9750247

SCHEMBL9750247

COc1c(Cc2ccccc2)cc(C(O)c2cccs2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CNR2 P34972 2/20 0.37
LMNA P02545 1/20 0.37
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
EGFR P00533 1/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
BCL2A1 Q16548 1/20 0.35

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
SCHEMBL9750220 0.72 LMNA (0.44) CNR2LMNAMAPTALOX15TSHR
SCHEMBL9749576 0.69 CNR2 (0.44) CNR2GPR55
SCHEMBL9749737 0.69 GPR55 (0.47) CNR2GPR55
SCHEMBL9748849 0.68 PTPN1 (0.47) CNR2GPR55CYP2C9
SCHEMBL10385683 0.66 TOP2A (0.42) CNR2TOP2ATOP2BEGFRMAPT
SCHEMBL9749291 0.66 CNR2 (0.43) CNR2GPR55
SCHEMBL9749512 0.66 SLC2A1 (0.43) CNR2LMNAMAPTGPR55
SCHEMBL2097755 0.64 LTA4H (0.53) CNR2LMNAGPR55
SCHEMBL9750351 0.64 CNR2 (0.42) CNR2HSD17B10GPR55CYP2C9
SCHEMBL9748451 0.64 GPR55 (0.42) CNR2GPR55

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 5 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