SCHEMBL10445673

SCHEMBL10445673

CC(=O)NCC(F)(F)C(O)C(Cc1ccc(N)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
CTSB P07858 4/20 0.44
CTSL P07711 6/20 0.43
CTSS P25774 5/20 0.43
CTSK P43235 4/20 0.43
CTRB1 P17538 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
CTSD P07339 2/20 0.42
SPPL2A Q8TCT8 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10445604 0.94 TRPM8 (0.52) TRPM8CTSBCTSLCTSSCTSK
SCHEMBL10445671 0.87 CTSL (0.49) TRPM8CTSBCTSLMEN1KMT2A
SCHEMBL10445814 0.85 SYK (0.46) F2PLAUPLATTRPM8CTSD
SCHEMBL10432188 0.84 F2 (0.50) F2PLAUPLATTRPM8CTSB
SCHEMBL7434857 0.83 SYK (0.56) TRPM8CTSBCTSLCTSSCTSK
SCHEMBL10445815 0.79 CTSS (0.47) CTSBCTSLCTSSCTSKMEN1
SCHEMBL5704587 0.78 TRPM8 (0.57) TRPM8CTSBCTSLCTSSCTSK
SCHEMBL10432189 0.78 TRPM8 (0.53) TRPM8CTSBCTSLCTSSCTSK
SCHEMBL10432302 0.77 SYK (0.48) TRPM8CTSL
SCHEMBL9724730 0.77 TRPM8 (0.53) F2PLAUPLATTRPM8CTSB

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-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed