SCHEMBL25916366

SCHEMBL25916366

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
SYK P43405 1/20 0.49
CASP1 P29466 3/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTSK P43235 2/20 0.44

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
SCHEMBL11123440 0.86 CTRB1 (0.54) CTRB1SYKCASP1CTSLCTSB
SCHEMBL11050540 0.86 CTRB1 (0.54) CTRB1SYKCASP1CTSLCTSB
SCHEMBL7986494 0.86 CTRB1 (0.54) CTRB1SYKCASP1CTSLCTSB
SCHEMBL29957249 0.86 SYK (0.60) CTRB1SYKCTSLCTSBCTSS
SCHEMBL18956286 0.86 CTRB1 (0.57) CTRB1SYKCASP1ATM
SCHEMBL25260283 0.86 CTRB1 (0.57) CTRB1SYKCASP1ATM
SCHEMBL29955027 0.86 SYK (0.60) CTRB1SYKCTSLCTSBCTSS
SCHEMBL18939642 0.86 SYK (0.58) CTRB1SYKCASP1CTSLCTSB
SCHEMBL18939640 0.86 SYK (0.58) CTRB1SYKCASP1CTSLCTSB
SCHEMBL30141469 0.84 CTRB1 (0.52) CTRB1SYKCASP1CTSLCTSB

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-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed