SCHEMBL7103648

SCHEMBL7103648

CCOC(=O)CNc1ccc(CCBr)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
AGTR1 P30556 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 2/20 0.39
HPGD P15428 3/20 0.38
ERBB2 P04626 1/20 0.38
KMT2A Q03164 2/20 0.38
RORC P51449 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL2945182 0.82 POLB (0.54) POLBHTTKDM4EALDH1A1MAPT
SCHEMBL3179185 0.81 ALDH1A1 (0.52) POLBHTTKDM4EALDH1A1MAPT
SCHEMBL7107066 0.81 L3MBTL1 (0.42) POLBHTTKDM4EALDH1A1MAPT
SCHEMBL7104581 0.79 LMNA (0.43) POLBHTTKDM4EALDH1A1MAPT
SCHEMBL696237 0.79 TSHR (0.55) POLBHTTKDM4EALDH1A1MAPT
SCHEMBL29894703 0.79 TSHR (0.55) POLBHTTKDM4EALDH1A1MAPT
SCHEMBL7102017 0.78 POLB (0.56) POLBHTTKDM4EALDH1A1MAPT
SCHEMBL6741735 0.78 THRB (0.39) POLBALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL7103433 0.77 L3MBTL1 (0.41) POLBHTTKDM4EALDH1A1MAPT
SCHEMBL6575124 0.75 GAA (0.49) POLBKDM4EALDH1A1MAPTGAA

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
EP-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
US-6353025-B1 COMPOUNDS AS DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed