SCHEMBL9433280

SCHEMBL9433280

COc1ccc2oc(C(=O)O)c(OCc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 6/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
KDM4E B2RXH2 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
PPARG P37231 1/20 0.49

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
SCHEMBL9434052 0.91 KDM4E (0.53) ANO1NPC1RAB9ACASP3SENP8
SCHEMBL10371693 0.90 KDM4E (0.59) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL7001218 0.85 KDM4E (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL6234986 0.83 KDM4E (0.61) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL7074007 0.82 KDM4E (0.54) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL9432912 0.82 EDNRA (0.60) ANO1CASP3SENP8SENP7SENP6
SCHEMBL29502918 0.82 EDNRA (0.56) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL18702961 0.82 EDNRA (0.56) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5733487 0.80 KDM4E (0.51) NPC1RAB9AKDM4ECYP1A2CYP3A4
SCHEMBL10371048 0.79 NPC1 (0.48) ANO1NPC1RAB9ACASP3SENP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5350748-A 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed