SCHEMBL7645682

SCHEMBL7645682

COC(=O)c1ccc(C(=O)N(C)c2ccc(C(=O)Nc3ccc(/C=C/c4ccc(S(=O)(=O)O)cc4)cc3C(=O)OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 1/20 0.40
HPGD P15428 4/20 0.39
MAPK10 P53779 1/20 0.39
PTGS2 P35354 1/20 0.39
F10 P00742 1/20 0.39
APP P05067 1/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
SNCA P37840 1/20 0.37
CD40 P25942 1/20 0.37
CD40LG P29965 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
SCHEMBL7529846 0.89 APP (0.47) ALDH1A1KDM4ETSHRL3MBTL1LMNA
SCHEMBL7529853 0.89 APP (0.47) ALDH1A1KDM4ETSHRL3MBTL1LMNA
SCHEMBL7528977 0.88 PTPN1 (0.41) ALDH1A1KDM4ETSHRL3MBTL1LMNA
SCHEMBL7528984 0.88 PTPN1 (0.41) ALDH1A1KDM4ETSHRL3MBTL1LMNA
SCHEMBL7528550 0.88 KDM4E (0.51) ALDH1A1KDM4EL3MBTL1LMNAMEN1
SCHEMBL7527005 0.88 KDM4E (0.51) ALDH1A1KDM4EL3MBTL1LMNAMEN1
SCHEMBL7527657 0.88 TSHR (0.50) ALDH1A1KDM4ETSHRL3MBTL1LMNA
SCHEMBL7527663 0.88 TSHR (0.50) ALDH1A1KDM4ETSHRL3MBTL1LMNA
SCHEMBL7648628 0.84 APP (0.46) ALDH1A1KDM4ETSHRHSD17B10PTPN1
SCHEMBL7648625 0.84 APP (0.46) ALDH1A1KDM4ETSHRHSD17B10PTPN1

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