SCHEMBL13005671

SCHEMBL13005671

CC(C)Cc1cccc(-c2cccc(C(=O)N[C@H](CC3CCCCC3)CN(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.45
F10 P00742 2/20 0.45
PRSS1 P07477 2/20 0.45
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
CTSL P07711 3/20 0.43
CTSS P25774 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR132 Q9UNW8 1/20 0.41
PRKD1 Q15139 2/20 0.41
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
HPGDS O60760 1/20 0.39
CTSD P07339 4/20 0.39
BACE1 P56817 4/20 0.39

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
SCHEMBL13060826 0.90 CTSL (0.44) F2F10PRSS1PSEN1PSEN2
SCHEMBL13005542 0.84 CTSD (0.40) F2F10PRSS1MEN1KMT2A
SCHEMBL13005434 0.84 HDAC4 (0.45) F2F10PRSS1CTSLCTSS
SCHEMBL13005436 0.84 HDAC4 (0.45) F2F10PRSS1CTSLCTSS
SCHEMBL13005665 0.83 MME (0.51) CTSLCTSSCTSKCTSBHPGDS
SCHEMBL13005538 0.82 CTSS (0.42) F2F10PRSS1PSEN1PSEN2
SCHEMBL13005525 0.82 CTSS (0.42) F2F10PRSS1PSEN1PSEN2
SCHEMBL13005486 0.82 F2 (0.39) F2F10PRSS1PSEN1PSEN2
SCHEMBL13256338 0.81 CTSL (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13005674 0.81 SMN1; SMN2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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