SCHEMBL4562897

SCHEMBL4562897

CC(N)(Cc1cccc(F)c1F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.47
BLM P54132 2/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
FYN P06241 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
ADRA1A P35348 1/20 0.43
PTGS2 P35354 1/20 0.43
MTOR P42345 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL29521900 0.87 BLM (0.49) RIPK1BLMALDH1A1KDM4ECYP1A2
SCHEMBL28690512 0.87 BLM (0.49) RIPK1BLMALDH1A1KDM4ECYP1A2
SCHEMBL12679276 0.87 BLM (0.49) RIPK1BLMALDH1A1KDM4ECYP1A2
SCHEMBL427855 0.87 BLM (0.49) RIPK1BLMALDH1A1KDM4ECYP1A2
SCHEMBL427854 0.87 BLM (0.49) RIPK1BLMALDH1A1KDM4ECYP1A2
SCHEMBL427045 0.81 BLM (0.50) BLMALDH1A1KDM4ECYP1A2MEN1
SCHEMBL427046 0.81 BLM (0.50) BLMALDH1A1KDM4ECYP1A2MEN1
SCHEMBL11402957 0.76 ADRA1A (0.53) BLMALDH1A1KDM4ECYP1A2MEN1
SCHEMBL11402961 0.76 ADRA1A (0.53) BLMALDH1A1KDM4ECYP1A2MEN1
SCHEMBL23009700 0.76 BLM (0.51) BLMALDH1A1KDM4ECYP1A2MEN1

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
EP-2084182-A2 ANTIDIABETIC COMPOUNDS Cadila Healthcare Limited (IN) 2009-08-05 EP claimed
WO-2008062457-A2 ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO claimed