SCHEMBL9787793

SCHEMBL9787793

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.52
CTSS P25774 8/20 0.51
CTSL P07711 7/20 0.51
TACR1 P25103 2/20 0.50
CTSK P43235 5/20 0.49
CTSB P07858 5/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL11244458 1.00 CTRB1 (0.52) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL10448480 0.89 CTSS (0.56) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL7169930 0.87 CTRB1 (0.54) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL4598612 0.87 CTRB1 (0.61) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL7172190 0.87 CTRB1 (0.54) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL7298020 0.87 CTRB1 (0.54) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL7300784 0.87 CTRB1 (0.61) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL7310119 0.87 CTRB1 (0.61) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL9313747 0.85 CASP1 (0.54) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL4256367 0.85 CTSS (0.55) CTRB1CTSSCTSLTACR1CTSK

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-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed
EP-0094815-A2 Oligopeptide prodrugs SMITHKLINE BECKMAN CORPORATION (US) 1983-11-23 EP disclosed