SCHEMBL4752633

SCHEMBL4752633

CC(CN)c1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.58
ENPEP Q07075 2/20 0.58
TAAR1 Q96RJ0 2/20 0.55
MRGPRX4 Q96LA9 1/20 0.48
FOLH1 Q04609 1/20 0.47
PARP1 P09874 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 2/20 0.46
PTGS1 P23219 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
PTGS2 P35354 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL12247341 0.84 HDAC4 (0.56) ANPEPENPEPMRGPRX4FOLH1PARP1
SCHEMBL12247344 0.84 HDAC4 (0.56) ANPEPENPEPMRGPRX4FOLH1PARP1
SCHEMBL1320105 0.84 ANPEP (0.56) ANPEPENPEPMRGPRX4FOLH1PARP1
SCHEMBL10174229 0.84 HDAC4 (0.56) ANPEPENPEPMRGPRX4FOLH1PARP1
SCHEMBL16429230 0.83 FOLH1 (0.55) ANPEPENPEPMRGPRX4FOLH1PARP1
SCHEMBL6014463 0.83 ANPEP (0.59) ANPEPENPEPMRGPRX4PARP1CA1
SCHEMBL6014468 0.83 ANPEP (0.51) ANPEPENPEPMRGPRX4PARP1CA1
SCHEMBL7357638 0.83 ANPEP (0.54) ANPEPENPEPMRGPRX4FOLH1PARP1
SCHEMBL24483458 0.82 TAAR1 (0.46) ANPEPENPEPTAAR1CA1CA2
SCHEMBL4446181 0.82 LOXL2 (0.62) TAAR1PARP1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed