SCHEMBL13060892

SCHEMBL13060892

CCc1cccc(-c2cccc(C(=O)N[C@H](CC(C)C)CN(C)C)c2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
HDAC4 P56524 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
UTS2R Q9UKP6 3/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL13060890 1.00 CTSL (0.41) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL13005481 0.93 CTSL (0.41) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL13005472 0.93 CTSL (0.41) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL13060891 0.91 TAS1R3 (0.44) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL13060640 0.87 TAS1R3 (0.40) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL13061226 0.87 ROCK2 (0.44) CTSLHDAC4ROCK2ROCK1
SCHEMBL13060643 0.87 ROCK2 (0.44) CTSLHDAC4ROCK2ROCK1
SCHEMBL13060800 0.86 TAS1R3 (0.41) TAS1R3TAS1R1HDAC4ROCK2ROCK1
SCHEMBL13061114 0.86 TAS1R3 (0.41) TAS1R3TAS1R1HDAC4ROCK2ROCK1
SCHEMBL13005480 0.86 TAS1R3 (0.42) CTSLCTSSCTSKTAS1R3TAS1R1

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
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed