SCHEMBL3482668

SCHEMBL3482668

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
CTRB1 P17538 2/20 0.53
ECE1 P42892 1/20 0.53
CTSL P07711 4/20 0.50
CTSS P25774 3/20 0.50
CTSB P07858 2/20 0.50
CTSK P43235 1/20 0.50
TACR1 P25103 2/20 0.48
ATM Q13315 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CAPN1 P07384 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
SCHEMBL901287 0.84 CTRB1 (0.49) CTRB1CTSSCTSKTACR1CA12
SCHEMBL3482895 0.83 CTRB1 (0.57) TRPM8ALDH1A1ALOX15CTRB1ECE1
SCHEMBL7331078 0.82 ECE1 (0.64) ECE1CTSLCTSSCTSBCTSK
SCHEMBL7305552 0.82 ECE1 (0.64) ECE1CTSLCTSSCTSBCTSK
SCHEMBL13973861 0.82 ECE1 (0.64) ECE1CTSLCTSSCTSBCTSK
SCHEMBL9383939 0.81 CTSL (0.67) TRPM8CTRB1ECE1CTSLCTSS
SCHEMBL10848448 0.81 CTSL (0.67) TRPM8CTRB1ECE1CTSLCTSS
SCHEMBL9713340 0.81 CTSL (0.67) TRPM8CTRB1ECE1CTSLCTSS
SCHEMBL10572092 0.81 CTSL (0.67) TRPM8CTRB1ECE1CTSLCTSS
Water SCHEMBL10848660 0.80 CTSS (0.69) ECE1CTSLCTSSCTSBCTSK

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