SCHEMBL10445604

SCHEMBL10445604

CC(=O)NCC(F)(F)C(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.52
CTSL P07711 4/20 0.47
CTSS P25774 4/20 0.47
CTSB P07858 3/20 0.47
CTSK P43235 2/20 0.47
CTRB1 P17538 3/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
CTSD P07339 2/20 0.45
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SYK P43405 1/20 0.43
TACR1 P25103 2/20 0.43

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
SCHEMBL10445673 0.94 F2 (0.48) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL10445671 0.91 CTSL (0.49) TRPM8CTSLCTSBMEN1KMT2A
SCHEMBL10445814 0.89 SYK (0.46) TRPM8CTSDMEN1LMNAKMT2A
SCHEMBL7434857 0.88 SYK (0.56) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL10445815 0.84 CTSS (0.47) CTSLCTSSCTSBCTSKMEN1
SCHEMBL5704587 0.83 TRPM8 (0.57) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL7428630 0.81 TRPM8 (0.55) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL7321385 0.81 TRPM8 (0.55) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL10432189 0.81 TRPM8 (0.53) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL10432302 0.80 SYK (0.48) TRPM8CTSLSYK

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