SCHEMBL7646325

SCHEMBL7646325

CN(C(=O)c1ccc(N(C)C(=O)c2ccc(C(=O)O)cc2)cc1)c1ccc(/C=C/c2ccc(OC(C)(C)C)c(C(=O)O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
PTPN1 P18031 4/20 0.38
PTPN2 P17706 3/20 0.38
PTPN6 P29350 3/20 0.38
NR1H4 Q96RI1 1/20 0.38
MAPT P10636 3/20 0.37
RARA P10276 3/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EGFR P00533 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL7530264 0.94 APP (0.38) APPPTPN1PTPN2PTPN6NR1H4
SCHEMBL7534171 0.92 NOTUM (0.46) APPPTPN1PTPN2PTPN6NR1H4
SCHEMBL7530259 0.85 APP (0.40) APPPTPN1PTPN2PTPN6MAPT
SCHEMBL7530268 0.85 APP (0.40) APPPTPN1PTPN2PTPN6MAPT
SCHEMBL7650125 0.81 PTPN1 (0.61) APPPTPN1PTPN2PTPN6RARA
SCHEMBL7523901 0.78 PTPN1 (0.47) APPPTPN1PTPN2PTPN6MAPT
SCHEMBL7534165 0.78 PTPN1 (0.44) APPPTPN1PTPN2PTPN6MAPT
SCHEMBL7648645 0.78 PTPN1 (0.44) APPPTPN1PTPN2PTPN6MAPT
SCHEMBL7648595 0.76 MAPT (0.40) MAPTMAPK1HSD17B10TDP1NPC1
SCHEMBL7531123 0.76 PTPN1 (0.53) APPPTPN1PTPN2PTPN6RARA

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
US-6479548-B2 P-(BENZOYLAMINO)STILBENE DERIVATIVES TELIK, INC. 2002-11-12 US disclosed