SCHEMBL9502479

SCHEMBL9502479

CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2SC)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.80
PLK1 P53350 4/20 0.67
NR1H4 Q96RI1 2/20 0.61
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 6/20 0.59
RARB P10826 3/20 0.56
PLA2G4A P47712 1/20 0.54

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
SCHEMBL9502352 0.91 ACAT1 (0.77) ACAT1PLK1NR1H4TP53TSHR
SCHEMBL9503247 0.90 ACAT1 (0.76) ACAT1PLK1NR1H4TP53TSHR
SCHEMBL9365137 0.89 ACAT1 (1.00) ACAT1PLK1NR1H4
SCHEMBL9361187 0.89 ACAT1 (1.00) ACAT1PLK1NR1H4
SCHEMBL9361036 0.89 ACAT1 (1.00) ACAT1PLK1NR1H4
SCHEMBL9365235 0.89 ACAT1 (1.00) ACAT1PLK1NR1H4
SCHEMBL9361027 0.89 ACAT1 (1.00) ACAT1PLK1NR1H4
SCHEMBL6940849 0.89 ACAT1 (1.00) ACAT1PLK1NR1H4
SCHEMBL9365882 0.87 ACAT1 (0.89) ACAT1PLK1NR1H4
SCHEMBL9365182 0.87 ACAT1 (0.89) ACAT1PLK1NR1H4

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
EP-0543884-A1 BENZANILIDE DERIVATIVES AND THEIR USE AS ANTI-ATHEROSCLEROTIC AGENTS RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003408-A1 BENZANILIDE DERIVATIVES AND THEIR USE AS ANTI-ANTHEROSCLEROTIC AGENTS RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed