SCHEMBL3989460

SCHEMBL3989460

CC(C)(C)c1cc(CC([C]=O)NC(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.45
CTSS P25774 9/20 0.45
CTSB P07858 5/20 0.45
CTSK P43235 8/20 0.44
CTRB1 P17538 2/20 0.44
SYK P43405 1/20 0.43
TACR1 P25103 1/20 0.42

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
SCHEMBL3989464 1.00 CTSL (0.45) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL3989467 0.84 CTSB (0.50) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL7288504 0.82 CTSL (0.56) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL10724398 0.82 CTSL (0.56) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL7300784 0.82 CTRB1 (0.61) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL4598612 0.82 CTRB1 (0.61) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL7310119 0.82 CTRB1 (0.61) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL10720529 0.79 CTSS (0.64) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL10720539 0.79 CTSS (0.64) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL11669304 0.78 CTSL (0.63) CTSLCTSSCTSBCTSKCTRB1

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-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed