SCHEMBL9700152

SCHEMBL9700152

CCOC(=O)C(C)(C)Oc1ccc(C#N)cc1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.54
PPARA Q07869 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
CNR2 P34972 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
SSTR4 P31391 1/20 0.43
PPARG P37231 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TBXA2R P21731 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL4616226 0.87 FBP1 (0.46) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4615169 0.85 FBP1 (0.46) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL9701316 0.85 FBP1 (0.45) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4614758 0.81 FBP1 (0.45) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4692295 0.80 PPARA (0.66) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1549824 0.80 FBP1 (0.58) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4614921 0.80 FBP1 (0.44) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4616212 0.80 FBP1 (0.44) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL14543831 0.80 EPAS1 (0.50) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4615988 0.79 FBP1 (0.47) FBP1PPARAABCB11CYP1A2CYP3A4

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-5116987-A METHOD OF PREPARING CHROMAN DERIVATIVES, AND SYNTHESIS INTERMEDIATES SANOFI (FR) 1992-05-26 US disclosed
US-5071991-A METHOD OF PREPARING CHROMAN DERIVATIVES, AND SYNTHESIS INTERMEDIATES SANOFI (FR) 1991-12-10 US disclosed