SCHEMBL9713148

SCHEMBL9713148

CC(C)C1=CC(=O)c2cc(Cl)ccc2C1=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.40
HSP90AA1 P07900 1/20 0.39
PTPN1 P18031 2/20 0.39
PPOX P50336 1/20 0.37
PTPN11 Q06124 1/20 0.35
USP8 P40818 2/20 0.35
USP7 Q93009 2/20 0.35
EEF2K O00418 1/20 0.34
PLK1 P53350 1/20 0.34
PLK2 Q9NYY3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
USP47 Q96K76 1/20 0.32
VHL P40337 1/20 0.32
ELOC Q15369 1/20 0.32
ELOB Q15370 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL9713840 0.78 S100A4 (0.44) S100A4HSP90AA1PTPN1PPOXPTPN11
SCHEMBL10503278 0.72 S100A4 (0.50) S100A4HSP90AA1PTPN1PPOXUSP8
SCHEMBL9627970 0.70 ALDH1A1 (0.57) S100A4HSP90AA1PTPN1PPOXPTPN11
SCHEMBL9713740 0.70 BACE1 (0.45) S100A4HSP90AA1PTPN1PTPN11KDM4E
SCHEMBL8773066 0.70 S100A4 (0.56) S100A4HSP90AA1PTPN1PPOXPTPN11
SCHEMBL9713423 0.68 PTPN1 (0.46) S100A4HSP90AA1PTPN1KDM4E
SCHEMBL9713138 0.68 MAP2K7 (0.44) S100A4HSP90AA1PTPN1PPOXPTPN11
SCHEMBL9713379 0.68 S100A4 (0.44) S100A4HSP90AA1PTPN1PPOXPTPN11
SCHEMBL23271777 0.67 S100A4 (0.52) S100A4HSP90AA1PTPN1PPOXPTPN11
SCHEMBL976245 0.67 HSP90AA1 (0.53) S100A4HSP90AA1PTPN1PPOXPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed