SCHEMBL4633019

SCHEMBL4633019

O=C(O)c1sc2ccccc2c1OCc1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MCL1 Q07820 4/20 0.44
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 2/20 0.44
SENP5 Q96HI0 5/20 0.42
SENP2 Q9HC62 5/20 0.42
SENP1 Q9P0U3 5/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CXCR2 P25025 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
EDNRA P25101 1/20 0.41

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
SCHEMBL4604066 0.89 SENP5 (0.44) ALDH1A1FFAR1FFAR4SENP5SENP2
SCHEMBL4634942 0.86 KMT2A (0.60) KDM4EALDH1A1LMNAMAPK1
SCHEMBL4605093 0.81 PDE10A (0.41) FFAR1FFAR4SENP5SENP2SENP1
SCHEMBL4634951 0.81 KDM4E (0.67) PTPN2PTPN1KDM4EALDH1A1SENP5
SCHEMBL4632956 0.80 FFAR1 (0.46) PTPN2PTPN1KDM4EALDH1A1MCL1
SCHEMBL4635097 0.80 PTPN2 (0.46) PTPN2PTPN1KDM4EALDH1A1MCL1
SCHEMBL4633910 0.79 ALDH1A1 (0.47) ALDH1A1FFAR1FFAR4SENP5SENP2
SCHEMBL4633967 0.78 HSD11B1 (0.46) PTPN2PTPN1KDM4EALDH1A1MCL1
SCHEMBL4633605 0.77 FFAR1 (0.53) PTPN2PTPN1KDM4EALDH1A1FFAR1
SCHEMBL15697532 0.76 PTPN2 (0.56) PTPN2PTPN1KDM4EALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed