SCHEMBL9701316

SCHEMBL9701316

CCOC(=O)C(C)(C)Oc1ccc(C#N)cc1CBr

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.45
CNR2 P34972 1/20 0.42
PPARA Q07869 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARG P37231 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 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
SCHEMBL9700152 0.85 FBP1 (0.54) FBP1CNR2PPARAABCB11CYP1A2
SCHEMBL14110370 0.83 FBP1 (0.49) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL6165080 0.79 SLC6A4 (0.42) HTR2ATRPV4
SCHEMBL4685610 0.78 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4692295 0.76 PPARA (0.66) FBP1CNR2PPARAABCB11CYP1A2
SCHEMBL4616226 0.76 FBP1 (0.46) FBP1CNR2PPARAABCB11CYP1A2
SCHEMBL6092765 0.74 HDAC1 (0.46) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1549698 0.74 PPARA (0.57) FBP1CNR2PPARAABCB11CYP1A2
SCHEMBL9037321 0.74 TSHR (0.46) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL2009286 0.74 KDM4E (0.46) TSHRPDCD1CD274

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