SCHEMBL8694396

SCHEMBL8694396

CC(N)(Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.65
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
EGFR P00533 1/20 0.55
CYP1A2 P05177 1/20 0.55
FYN P06241 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
APEX1 P27695 1/20 0.55
ADRA1A P35348 1/20 0.55
PTGS2 P35354 1/20 0.55
MTOR P42345 1/20 0.55
RECQL P46063 1/20 0.55
CASP6 P55212 1/20 0.55

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
SCHEMBL27945030 0.83 SLC22A12 (0.57) BLMHTTEPHX2LOXL2CYP2A6
SCHEMBL7290869 0.83 HTT (0.47) BLMMAPTHTTEPHX2LOXL2
SCHEMBL17550663 0.83 KIF11 (0.45) BLMMAPTPOLBHSD17B10EPHX2
SCHEMBL11320387 0.81 BLM (0.54) BLMMAPTKDM4EMEN1USP2
SCHEMBL17066853 0.81 KIF11 (0.44) BLMMAPTPOLBHSD17B10EPHX2
SCHEMBL11320389 0.81 BLM (0.54) BLMMAPTKDM4EMEN1USP2
SCHEMBL28246736 0.81 SLC22A12 (0.56) BLMHTTEPHX2LOXL2CYP2A6
Metyrosine SCHEMBL27799143 0.81 BLM (0.96) BLMMAPTKDM4EMEN1USP2
Water SCHEMBL11327784 0.80 BLM (0.70) BLMMAPTKDM4EMEN1USP2
Water SCHEMBL11329765 0.80 BLM (0.70) BLMMAPTKDM4EMEN1USP2

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
US-5710166-A N-acyl beta amino acid derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1998-01-20 US disclosed