SCHEMBL11029773

SCHEMBL11029773

NC(=O)C(Cc1ccccc1)[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.56
TRPM8 Q7Z2W7 1/20 0.51
CTSL P07711 3/20 0.51
TACR1 P25103 3/20 0.50
ECE1 P42892 3/20 0.49
CTSS P25774 2/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MME P08473 1/20 0.48
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48

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
SCHEMBL6850692 0.90 CTRB1 (0.59) CTRB1TRPM8CTSLTACR1ECE1
SCHEMBL7701531 0.90 CTRB1 (0.59) CTRB1TRPM8CTSLTACR1ECE1
SCHEMBL29467644 0.84 CTRB1 (0.60) CTRB1TRPM8CTSLTACR1CTSS
SCHEMBL20529450 0.84 CTRB1 (0.60) CTRB1TRPM8CTSLTACR1CTSS
SCHEMBL7886288 0.84 CTRB1 (0.60) CTRB1TRPM8CTSLTACR1CTSS
SCHEMBL3482895 0.82 CTRB1 (0.57) CTRB1TRPM8CTSLTACR1ECE1
SCHEMBL10801569 0.82 MMP8 (0.54) CTRB1TRPM8CTSLECE1CTSS
SCHEMBL9737911 0.82 ATM (0.54) CTSLCTSSCTSBCTSK
SCHEMBL10993222 0.81 CTSL (0.54) CTRB1CTSLTACR1ECE1CTSS
SCHEMBL11785122 0.81 CTSL (0.60) CTRB1TRPM8CTSLCTSSCTSB

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
EP-0099960-B1 PROCESS FOR THE PREPARATION OF LOWER ALKYL ESTERS OF N-L-ALPHA-ASPARTYL-L-PHENYL ALANINE, AND INTERMEDIATES FOR THEIR MANUFACTURE EPROVA AG Forschungsinstitut (CH) 1985-04-10 EP disclosed