SCHEMBL9072791

SCHEMBL9072791

CCN(CC)C(=O)c1cnc(NC(=O)C(CC2CCCCC2)NC(=O)c2cc(F)ccc2NC)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.41
▸ GCK P35557 5/20 0.38
▸ USP30 Q70CQ3 5/20 0.38
▸ CTSS P25774 2/20 0.37
▸ PPM1D O15297 1/20 0.36
▸ F2RL1 P55085 2/20 0.36
▸ PSMB10 P40306 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 0.34

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
SCHEMBL9072816 0.90 CTSL (0.45) CTSLGCKUSP30CTSSPPM1D
SCHEMBL2669291 0.86 SMN1; SMN2 (0.45) CTSLGCKUSP30CTSSPPM1D
SCHEMBL2669250 0.86 PSEN1 (0.44) CTSLGCKUSP30CTSSPPM1D
SCHEMBL2669154 0.85 CTSL (0.43) CTSLGCKUSP30CTSSPPM1D
SCHEMBL2669300 0.84 CTSL (0.43) CTSLGCKUSP30CTSSPPM1D
SCHEMBL2669256 0.84 CTSS (0.46) CTSLGCKCTSSF2RL1CTSB
SCHEMBL2669285 0.81 CTSL (0.36) CTSLGCKUSP30CTSSF2RL1
SCHEMBL2669262 0.80 PSEN1 (0.51) CTSLCTSSF2RL1CTSK
SCHEMBL2669260 0.80 PSEN1 (0.43) CTSLGCKCTSSCTSK
SCHEMBL2669063 0.80 CTSL (0.47) CTSLGCKUSP30CTSSF2RL1

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-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO disclosed
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