SCHEMBL10698385

SCHEMBL10698385

COC(=O)CC(c1ccc(Cl)cc1)C(C#N)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 15/20 0.40
S1PR1 P21453 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL10697424 0.91 KCNA5 (0.44) KMT2AHTTALDH1A1MAPT
SCHEMBL12611945 0.89 KCNA5 (0.38) KMT2AHTTALDH1A1MAPT
SCHEMBL10452408 0.89 KCNA5 (0.38) KMT2AHTTALDH1A1MAPT
SCHEMBL10697346 0.87 KMT2A (0.42) KMT2AHTTALDH1A1MAPT
SCHEMBL10699742 0.85 PGR (0.43) KMT2AHTTALDH1A1MAPT
SCHEMBL10697278 0.85 CYP2D6 (0.46) KMT2AMAPT
SCHEMBL12611797 0.85 KMT2A (0.38) KMT2AHTTALDH1A1MAPT
SCHEMBL17255817 0.83 KCNA5 (0.38) S1PR3S1PR1KMT2AHTTALDH1A1
SCHEMBL17255825 0.83 KCNA5 (0.38) S1PR3S1PR1KMT2AHTTALDH1A1
SCHEMBL17255818 0.83 KCNA5 (0.38) S1PR3S1PR1KMT2AHTTALDH1A1

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-0270830-A1 Method for regulating plant growth using polysubstituted butyric acids, esters and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1988-06-15 EP claimed