SCHEMBL3482895

SCHEMBL3482895

NC(=O)C(NC(=O)OCc1ccccc1)C(O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.57
CTSL P07711 3/20 0.55
ECE1 P42892 1/20 0.53
CTSS P25774 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
TACR1 P25103 2/20 0.51
F2 P00734 2/20 0.51
PLAU P00749 2/20 0.51
PLAT P00750 2/20 0.51
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
PLG P00747 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
SCHEMBL10504359 0.89 CTSL (0.52) CTRB1CTSLECE1CTSSTRPM8
SCHEMBL10572092 0.84 CTSL (0.67) CTRB1CTSLECE1CTSSTRPM8
SCHEMBL9713340 0.84 CTSL (0.67) CTRB1CTSLECE1CTSSTRPM8
SCHEMBL9383939 0.84 CTSL (0.67) CTRB1CTSLECE1CTSSTRPM8
SCHEMBL10848448 0.84 CTSL (0.67) CTRB1CTSLECE1CTSSTRPM8
Water SCHEMBL10848660 0.83 CTSS (0.69) CTSLECE1CTSSCTSBCTSK
SCHEMBL7331078 0.83 ECE1 (0.64) CTSLECE1CTSSCTSBCTSK
SCHEMBL7305552 0.83 ECE1 (0.64) CTSLECE1CTSSCTSBCTSK
SCHEMBL13973861 0.83 ECE1 (0.64) CTSLECE1CTSSCTSBCTSK
SCHEMBL3482668 0.83 TRPM8 (0.55) CTRB1CTSLECE1CTSSTRPM8

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-2010107993-A2 PROCESS FOR PREPARING (R)-7V-BENZYL-2- (BENYLOXYCARBONYLAMINO)-S-METHOXYPROPIONAMIDE PLIVA HRVATSKA D.O.O. (HR) 2010-09-23 WO claimed
WO-2010107993-A2 PROCESS FOR PREPARING (R)-7V-BENZYL-2- (BENYLOXYCARBONYLAMINO)-S-METHOXYPROPIONAMIDE PLIVA HRVATSKA D.O.O. (HR) 2010-09-23 WO disclosed