SCHEMBL12809176

SCHEMBL12809176

CC[C@H](NC(=O)OCc1ccccc1)C(C)=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.63
ALDH1A1 P00352 1/20 0.62
ALOX15 P16050 1/20 0.62
CTSS P25774 4/20 0.56
CTSL P07711 3/20 0.56
CTSB P07858 2/20 0.56
TACR1 P25103 2/20 0.54
KYNU Q16719 1/20 0.54
SYK P43405 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
CTRB1 P17538 2/20 0.54
ATM Q13315 1/20 0.53

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
SCHEMBL8348598 1.00 CTSK (0.63) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL2627396 0.90 CTSK (0.62) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL29941638 0.90 CTSK (0.62) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL10254381 0.90 CTSK (0.62) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL10028352 0.89 ALDH1A1 (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL26195471 0.89 CTSK (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL13503284 0.89 ALDH1A1 (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL2895983 0.89 CTSK (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL265512 0.89 CTSK (0.64) CTSKALDH1A1ALOX15CTSSCTSL
SCHEMBL319160 0.89 CTSK (0.64) CTSKALDH1A1ALOX15CTSSCTSL

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
US-9321743-B2 Compositions and methods of inhibiting N-acylethanolamine-hydrolyzing acid amidase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-26 US disclosed
EP-1585730-B1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-03-09 EP disclosed