SCHEMBL8557434

SCHEMBL8557434

COC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.59
ALDH1A1 P00352 2/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CAPN1 P07384 1/20 0.54
KYNU Q16719 1/20 0.54
CTSB P07858 4/20 0.53
ALOX15 P16050 1/20 0.52
PSMB8 P28062 1/20 0.52
PSMB9 P28065 1/20 0.52
PSMB5 P28074 1/20 0.52
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
CYP1A2 P05177 1/20 0.51
REN P00797 1/20 0.51

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
SCHEMBL4560701 1.00 CTSK (0.59) CTSKALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4561049 1.00 CTSK (0.59) CTSKALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4561159 0.91 CTSK (0.60) CTSKCAPN1CTSBPSMB8PSMB9
SCHEMBL4558745 0.91 CTSK (0.60) CTSKCAPN1CTSBPSMB8PSMB9
SCHEMBL10608051 0.91 CTSK (0.60) CTSKCAPN1CTSBPSMB8PSMB9
SCHEMBL29577075 0.91 CTSK (0.60) CTSKCAPN1CTSBPSMB8PSMB9
SCHEMBL4559069 0.90 CTSK (0.57) CTSKCAPN1CTSBPSMB8PSMB9
SCHEMBL11781682 0.90 ALDH1A1 (0.64) CTSKALDH1A1THRBCYP2C9CYP2C19
SCHEMBL1760460 0.90 KYNU (0.59) CTSKALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6826924 0.90 KYNU (0.59) CTSKALDH1A1THRBCYP2C9CYP2C19

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
WO-2013001120-A1 CHEMICAL PROCESS FOR THE SELECTIVE MODIFICATION OF PEPTIDES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2013-01-03 WO disclosed
US-5854391-A Glycosylation of peptides using glycosyl phosphite reagents THE SCRIPPS RESEARCH INSTITUTE (US) 1998-12-29 US disclosed