SCHEMBL997660

SCHEMBL997660

COCC(=O)c1ccc(O)c(SC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 2/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL998950 0.87 MAPT (0.39) MAPTKMT2AALDH1A1HPGDHSD17B10
SCHEMBL998319 0.83 TSHR (0.51) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL9645442 0.81 ALDH1A1 (0.50) MAPTKMT2AALDH1A1HPGDHSD17B10
SCHEMBL10651588 0.80 PTPN1 (0.48) MAPTKMT2AALDH1A1HPGDHSD17B10
SCHEMBL31582154 0.80 ALDH1A1 (0.49) MAPTKMT2AALDH1A1HPGDHSD17B10
SCHEMBL997314 0.79 TSHR (0.51) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL9667921 0.78 KDM4E (0.77) MAPTKMT2AALDH1A1HPGDHSD17B10
SCHEMBL16360980 0.77 MEN1 (0.66) MAPTKMT2AALDH1A1HPGDHSD17B10
SCHEMBL996657 0.77 CA12 (0.41) MAPTKMT2AMEN1HTTLMNA
SCHEMBL1545562 0.75 PKM (0.52) MAPTKMT2AALDH1A1HPGDHSD17B10

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
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO disclosed