SCHEMBL13005486

SCHEMBL13005486

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 2/20 0.36
REN P00797 2/20 0.36
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 3/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35

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
SCHEMBL13005485 0.82 BRD4 (0.34) F2F10PRSS1PSEN1PSEN2
SCHEMBL13005671 0.82 F2 (0.45) F2F10PRSS1PSEN1PSEN2
SCHEMBL13060859 0.77 BRD4 (0.36) MEN1KMT2AALDH1A1L3MBTL1BRD4
SCHEMBL13005542 0.75 CTSD (0.40) F2F10PRSS1MEN1KMT2A
SCHEMBL13060826 0.71 CTSL (0.44) F2F10PRSS1PSEN1PSEN2
SCHEMBL13005674 0.70 SMN1; SMN2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13005455 0.70 HPGDS (0.45) F2F10PRSS1ALDH1A1CTSL
SCHEMBL18970474 0.70 KMT2A (0.44) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL13005689 0.69 NPY5R (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13005597 0.69 ALDH1A1 (0.42) 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 2 patents. 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
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