SCHEMBL4633595

SCHEMBL4633595

Cc1ccc(C(=O)COc2c(C(=O)O)sc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 2/20 0.54
NOD2 Q9HC29 1/20 0.54
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
MAOB P27338 1/20 0.50
PKM P14618 1/20 0.50
SENP5 Q96HI0 2/20 0.49
SENP2 Q9HC62 2/20 0.49
SENP1 Q9P0U3 2/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4635045 0.91 PTPN1 (0.63) PTPN2PTPN1KMT2AALDH1A1NOD2
SCHEMBL4603919 0.90 MAOB (0.57) PTPN2PTPN1KMT2AALDH1A1NOD2
SCHEMBL4632954 0.89 PTPN1 (0.57) PTPN2PTPN1KMT2AALDH1A1NOD2
SCHEMBL4634468 0.88 PTPN2 (0.56) PTPN2PTPN1KMT2AALDH1A1NOD2
SCHEMBL4635101 0.88 PTPN2 (0.56) PTPN2PTPN1KMT2AALDH1A1MEN1
SCHEMBL4634448 0.87 KMT2A (0.73) KMT2AALDH1A1NOD2MEN1MAPT
SCHEMBL4634967 0.83 EDNRA (0.54) PTPN2PTPN1ALDH1A1MAOBSENP5
SCHEMBL4634440 0.83 SENP5 (0.52) PTPN2PTPN1KMT2AALDH1A1MAPT
SCHEMBL4603478 0.82 MAOB (0.51) PTPN2PTPN1KMT2AALDH1A1NOD2
SCHEMBL4632950 0.82 SENP5 (0.60) PTPN2PTPN1KMT2AALDH1A1NOD2

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