SCHEMBL9545565

SCHEMBL9545565

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.57
CTRB1 P17538 2/20 0.52
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
CTSD P07339 3/20 0.51
TACR1 P25103 2/20 0.50
CTSK P43235 5/20 0.49
CTSL P07711 4/20 0.49
CTSB P07858 4/20 0.49
CTSS P25774 3/20 0.49
ATM Q13315 1/20 0.46

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
SCHEMBL7796585 0.88 TRPM8 (0.55) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL2736202 0.87 TRPM8 (0.64) TRPM8CTRB1ALDH1A1ALOX15CTSD
SCHEMBL4949767 0.87 TRPM8 (0.64) TRPM8CTRB1ALDH1A1ALOX15CTSD
SCHEMBL2736218 0.87 TRPM8 (0.64) TRPM8CTRB1ALDH1A1ALOX15CTSD
SCHEMBL7337287 0.87 TRPM8 (0.64) TRPM8CTRB1ALDH1A1ALOX15CTSD
SCHEMBL5916913 0.87 TRPM8 (0.64) TRPM8CTRB1ALDH1A1ALOX15CTSD
SCHEMBL9421829 0.87 TRPM8 (0.64) TRPM8CTRB1ALDH1A1ALOX15CTSD
SCHEMBL9421798 0.85 TRPM8 (0.52) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL7763449 0.84 TRPM8 (0.58) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL7270655 0.82 CTSD (0.62) TRPM8CTSDCTSKCTSLCTSB

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-1993023361-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED DIAMINODIOL ABBOTT LABORATORIES (US) 1993-11-25 WO disclosed