SCHEMBL7014236

SCHEMBL7014236

COc1ccc([C@@H](CN)C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.47
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CHRNA7 P36544 1/20 0.42
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
OXTR P30559 1/20 0.40
ACACB O00763 2/20 0.39
LMNA P02545 2/20 0.39
PABPC1 P11940 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL7083560 1.00 NNMT (0.47) NNMTKMT2AALDH1A1POLBMKNK1
SCHEMBL7081682 0.87 NNMT (0.46) NNMTKMT2AALDH1A1POLBMKNK1
SCHEMBL3861139 0.84 NNMT (0.44) NNMTKMT2AALDH1A1POLBMKNK1
SCHEMBL16751961 0.84 KMT2A (0.43) NNMTKMT2AALDH1A1POLBMKNK1
SCHEMBL7009204 0.82 NNMT (0.42) NNMTKMT2AALDH1A1POLBMKNK1
SCHEMBL7165235 0.80 NNMT (0.40) NNMTKMT2AALDH1A1POLBMKNK1
Trifluoroacetic Acid SCHEMBL17825627 0.80 DPP4 (0.39) NNMTKMT2AALDH1A1POLBMKNK1
SCHEMBL3550308 0.79 KMT2A (0.52) NNMTKMT2AALDH1A1POLBMKNK1
SCHEMBL6069855 0.78 PTGS2 (0.49) NNMTKMT2AALDH1A1POLBMKNK1
SCHEMBL6069865 0.78 PTGS2 (0.49) NNMTKMT2AALDH1A1POLBMKNK1

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
EP-1230240-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOLIDINONE ALPHA V INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2003-07-23 EP claimed