SCHEMBL10028352

SCHEMBL10028352

CC(=O)C(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
ALOX15 P16050 1/20 0.64
CTSK P43235 7/20 0.59
CTSS P25774 6/20 0.58
CTSL P07711 5/20 0.58
CTSB P07858 4/20 0.58
TACR1 P25103 2/20 0.56
KYNU Q16719 1/20 0.55
CTRB1 P17538 2/20 0.55
ATM Q13315 1/20 0.55
CASP1 P29466 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
SCHEMBL13503284 1.00 ALDH1A1 (0.64) ALDH1A1ALOX15CTSKCTSSCTSL
SCHEMBL9848836 0.89 CTSL (0.58) ALDH1A1ALOX15CTSKCTSSCTSL
SCHEMBL2256830 0.89 KYNU (0.64) ALDH1A1ALOX15CTSKCTSSCTSL
SCHEMBL12809176 0.89 CTSK (0.63) ALDH1A1ALOX15CTSKCTSSCTSL
SCHEMBL8785267 0.89 ALDH1A1 (0.74) ALDH1A1ALOX15CTSKCTSSCTSL
SCHEMBL7285798 0.89 ALDH1A1 (0.74) ALDH1A1ALOX15CTSKCTSSCTSL
SCHEMBL345230 0.89 KYNU (0.64) ALDH1A1ALOX15CTSKCTSSCTSL
SCHEMBL8785257 0.89 ALDH1A1 (0.74) ALDH1A1ALOX15CTSKCTSSCTSL
SCHEMBL8348598 0.89 CTSK (0.63) ALDH1A1ALOX15CTSKCTSSCTSL
SCHEMBL345229 0.89 KYNU (0.64) ALDH1A1ALOX15CTSKCTSSCTSL

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-8148505-B2 Method of α-selective glycosylation JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-03 US disclosed