SCHEMBL13005485

SCHEMBL13005485

COc1c(CC(C)C)cccc1-c1cccc(C(=O)C[C@H](CC2CCCCC2)CN(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.34
CTSL P07711 3/20 0.34
CTSS P25774 3/20 0.34
CTSK P43235 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
AGTR2 P50052 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
KCNA5 P22460 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
NPY5R Q15761 1/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL13060859 0.92 BRD4 (0.36) BRD4CTSLCTSSCTSKMETAP2
SCHEMBL13005538 0.84 CTSS (0.42) BRD4CTSLCTSSCTSKPSEN1
SCHEMBL13005525 0.84 CTSS (0.42) BRD4CTSLCTSSCTSKPSEN1
SCHEMBL13005486 0.82 F2 (0.39) BRD4CTSLCTSSPSEN1PSEN2
SCHEMBL13005623 0.79 BRD4 (0.39) BRD4CTSLCTSSCTSKMEN1
SCHEMBL13060805 0.76 CTSS (0.44) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL13060644 0.76 CTSS (0.44) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL13005444 0.74 KCNA5 (0.51) BRD4KCNA5LMNA
SCHEMBL13005534 0.73 ROCK2 (0.40) CTSLCTSSCTSK
SCHEMBL13005536 0.73 ROCK2 (0.40) CTSLCTSSCTSK

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