SCHEMBL8551341

SCHEMBL8551341

CON=C1CCOc2c(Cl)cc(C(=O)O)c(SC)c21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
FABP3 P05413 1/20 0.30
FABP5 Q01469 1/20 0.30

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
SCHEMBL8871670 0.90 GAA (0.31) GAAHTT
SCHEMBL8549154 0.81
SCHEMBL8128422 0.81 FABP4 (0.34) FABP4HTTFABP3FABP5
SCHEMBL8870803 0.78
SCHEMBL8870971 0.78
SCHEMBL8618012 0.78 FABP4 (0.33) FABP4GAAHTTFABP3FABP5
SCHEMBL8122612 0.69 MEN1 (0.33) FABP4
SCHEMBL6732023 0.68 BAZ2B (0.38)
SCHEMBL8136281 0.67 PARP1 (0.35)
SCHEMBL8549375 0.64 CYP3A4 (0.31)

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
CN-1184477-A Pyrazole derivatives IDEMITSU KOSAN CO (JP) 1998-06-10 CN disclosed
EP-0818455-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-14 EP disclosed