SCHEMBL7698179

SCHEMBL7698179

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.56
CTRB1 P17538 2/20 0.54
SPPL2A Q8TCT8 1/20 0.53
CTSB P07858 2/20 0.52
ACE2 Q9BYF1 1/20 0.50
CTSK P43235 4/20 0.49
CTSL P07711 2/20 0.49
BCHE P06276 1/20 0.48
BACE1 P56817 3/20 0.48
CTSS P25774 1/20 0.48
SLC6A11 P48066 1/20 0.48
ATM Q13315 1/20 0.48
CTSD P07339 2/20 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
SCHEMBL4910315 1.00 TRPM8 (0.56) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL5413813 1.00 TRPM8 (0.56) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL24324236 1.00 TRPM8 (0.56) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL3029758 0.90 CTSK (0.55) CTRB1CTSBACE2CTSKCTSL
SCHEMBL8478010 0.90 CTRB1 (0.54) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL2582361 0.90 SPPL2A (0.53) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL2577831 0.90 SPPL2A (0.53) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL4908808 0.90 SPPL2A (0.53) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL14395196 0.89 BACE1 (0.51) BCHEBACE1SLC6A11
SCHEMBL2601900 0.88 BACE1 (0.62) TRPM8CTRB1CTSBBCHEBACE1

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
JP-2002332270-A METHOD OF PRODUCING SULFONAMIDE DERIVATIVE AJINOMOTO CO INC 2002-11-22 JP disclosed