SCHEMBL8550302

SCHEMBL8550302

CO/N=C1\CCSc2c(Cl)cc(C(=O)O)c(Cl)c21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8550304 1.00 CYP3A4 (0.31) CYP3A4KDM4E
SCHEMBL8551338 0.89 POLB (0.31)
SCHEMBL8548317 0.89 POLB (0.31)
SCHEMBL8544578 0.85 KDM4E (0.40) KDM4E
SCHEMBL8871666 0.76 KDM4E (0.34) KDM4E
SCHEMBL8549375 0.75 CYP3A4 (0.31) CYP3A4
SCHEMBL8549371 0.75 CYP3A4 (0.31) CYP3A4
SCHEMBL8549149 0.73
SCHEMBL8549146 0.73
SCHEMBL8545731 0.70 RAB9A (0.33)

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
EP-0818455-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-14 EP disclosed