SCHEMBL9713138

SCHEMBL9713138

CC(C)SC1=CC(=O)c2cc(Cl)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.44
ELANE P08246 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
S100A4 P26447 5/20 0.44
SOAT1 P35610 8/20 0.41
HSP90AA1 P07900 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.38
PPOX P50336 1/20 0.37
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
CES1 P23141 2/20 0.34
TGM2 P21980 1/20 0.34

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
SCHEMBL9713833 0.83 SOAT1 (0.61) MAP2K7ELANECDC25ACDC25BS100A4
SCHEMBL10503268 0.76 S100A4 (0.55) MAP2K7CDC25ACDC25BS100A4HSP90AA1
SCHEMBL9713728 0.75 S100A4 (0.49) MAP2K7ELANECDC25ACDC25BS100A4
SCHEMBL9627970 0.74 ALDH1A1 (0.57) MAP2K7CDC25ACDC25BS100A4HSP90AA1
SCHEMBL9628282 0.73 IDO1 (0.61) CDC25ACDC25BS100A4HSP90AA1PTPN1
SCHEMBL30003034 0.73 IDO1 (0.61) CDC25ACDC25BS100A4HSP90AA1PTPN1
SCHEMBL8773066 0.73 S100A4 (0.56) S100A4HSP90AA1PTPN1PTPN11PPOX
SCHEMBL9713414 0.73 SOAT1 (0.69) MAP2K7CDC25ACDC25BS100A4SOAT1
SCHEMBL9713379 0.71 S100A4 (0.44) CDC25ACDC25BS100A4HSP90AA1PTPN1
SCHEMBL23271777 0.70 S100A4 (0.52) S100A4HSP90AA1PTPN1PTPN11PPOX

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