SCHEMBL7485771

SCHEMBL7485771

CC(C)(C)OC(=O)NC(CN)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
PPARA Q07869 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSS P25774 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ACE P12821 1/20 0.42
ALDH1A1 P00352 2/20 0.42
IDO1 P14902 1/20 0.42
AKT1 P31749 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.41
RECQL P46063 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL8931457 0.87 SYK (0.44) SYKPPARAMEN1KMT2ACTSS
SCHEMBL1728479 0.82 SYK (0.53) SYKPPARAMEN1KMT2ACTSS
SCHEMBL10382701 0.81 SYK (0.43) SYKPPARAMEN1KMT2ACA12
SCHEMBL560683 0.81 ALDH1A1 (0.49) SYKPPARAMEN1KMT2ACTSS
SCHEMBL560684 0.81 ALDH1A1 (0.49) SYKPPARAMEN1KMT2ACTSS
SCHEMBL19862502 0.81 SYK (0.49) SYKPPARAMEN1KMT2ACTSS
SCHEMBL7216943 0.80 SYK (0.54) SYKPPARAMEN1KMT2ACTSS
SCHEMBL28168067 0.79 ALDH1A1 (0.51) SYKPPARACTSSCA12CA1
SCHEMBL21239559 0.79 SYK (0.53) SYKPPARAMEN1KMT2ACTSS
SCHEMBL8312542 0.79 SYK (0.50) SYKPPARAMEN1KMT2ACTSS

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-1996033982-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed