SCHEMBL1907464

SCHEMBL1907464

NC(=O)CCc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
STS P08842 2/20 0.42
CXCR2 P25025 2/20 0.42
FFAR1 O14842 6/20 0.41
CXCR1 P25024 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
CAPN1 P07384 1/20 0.39
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5581998 0.87 FFAR1 (0.56) LMNACA2CA1FFAR1FFAR4
SCHEMBL5908733 0.84 ALDH1A1 (0.51) LMNAALDH1A1CA2CA1STS
SCHEMBL2257211 0.82 F2RL1 (0.46) LMNAALDH1A1CXCR2FFAR1CXCR1
SCHEMBL6941010 0.82 PPARA (0.51) CA2CA1STSCXCR2CXCR1
SCHEMBL26619697 0.80 HTR1A (0.52) CA2CA1HTR1AHTR1DHTR1B
SCHEMBL17847695 0.80 CA2 (0.46) CA2CA1STSCXCR2CXCR1
SCHEMBL17834378 0.80 PPARA (0.41) LMNACA2CA1STSCXCR2
SCHEMBL5723863 0.79 EPHX1 (0.50) LMNAALDH1A1FFAR1FFAR4
SCHEMBL4461203 0.77 CA2 (0.47) LMNACA2STSCXCR2CXCR1
SCHEMBL7771915 0.77 CA2 (0.44) ALDH1A1CA2CA1STSCXCR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101912382-B 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE SPA 2012-11-21 CN disclosed
EP-2493846-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2012-09-05 EP disclosed
WO-2011051375-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2011-05-05 WO disclosed