SCHEMBL765879

SCHEMBL765879

CC(C)Cc1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.51
PARP10 Q53GL7 4/20 0.51
MMP3 P08254 1/20 0.49
GRM2 Q14416 3/20 0.49
ACACB O00763 3/20 0.49
FFAR1 O14842 1/20 0.47
HPGD P15428 1/20 0.46
PARP2 Q9UGN5 1/20 0.45
ADAM17 P78536 1/20 0.44

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
SCHEMBL14508997 0.81 PARP15 (0.55) PARP15PARP10GRM2FFAR1HPGD
SCHEMBL31220925 0.80 PARP10 (0.55) PARP15PARP10GRM2ACACBFFAR1
SCHEMBL13439690 0.80 FFAR1 (0.56) PARP15PARP10MMP3FFAR1HPGD
SCHEMBL10203545 0.80 ACACB (0.59) PARP15PARP10ACACBPARP2
SCHEMBL879115 0.80 ACACB (0.59) PARP15PARP10ACACBPARP2
SCHEMBL11941581 0.80 PARP15 (0.54) PARP15PARP10GRM2FFAR1HPGD
SCHEMBL20969565 0.79 PARP10 (0.56) PARP15PARP10FFAR1PARP2
SCHEMBL14534755 0.79 PARP15 (0.53) PARP15PARP10GRM2FFAR1HPGD
SCHEMBL12086465 0.79 CYP4F2 (0.51) PARP15PARP10MMP3ACACBFFAR1
SCHEMBL11049584 0.78 PARP10 (0.55) PARP15PARP10GRM2HPGDPARP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951673-B1 HETEROCYCLIC CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-09-05 EP disclosed
EP-1951690-B1 HETEROCYCLIC CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed