SCHEMBL7349192

SCHEMBL7349192

CC(C)=CCNc1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.48
PARP15 Q460N3 4/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PARP2 Q9UGN5 1/20 0.43
SYK P43405 1/20 0.42
EPHX2 P34913 1/20 0.42
FFAR1 O14842 1/20 0.42
MMP3 P08254 1/20 0.42
HPGD P15428 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL20969564 0.80 PARP15 (0.51) PARP10PARP15FNTAFNTBPARP2
SCHEMBL20969685 0.75 PARP15 (0.50) PARP10PARP15FNTAFNTBPARP2
SCHEMBL3423612 0.73 PARP10 (0.58) PARP10PARP15FNTAFNTBPARP2
SCHEMBL7463070 0.73 MAPT (0.57) HPGDNPC1RAB9A
SCHEMBL4427324 0.73 PARP10 (0.51) PARP10PARP15FNTAFNTBPARP2
SCHEMBL22192683 0.72 PARP15 (0.65) PARP10PARP15FNTAFNTBPARP2
SCHEMBL4573802 0.72 PARP10 (0.62) PARP10PARP15FNTAFNTBPARP2
SCHEMBL24618063 0.71 PARP15 (0.53) PARP10PARP15FNTAFNTBPARP2
SCHEMBL20969745 0.71 PARP15 (0.47) PARP10PARP15PARP2
SCHEMBL7041912 0.71 PARP10 (0.43) PARP10PARP15PARP2FFAR1MMP3

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
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 WO claimed