SCHEMBL5961786

SCHEMBL5961786

CCOc1ccc(CCC(OO)c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
ACACB O00763 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NQO1 P15559 1/20 0.41
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PARP10 Q53GL7 2/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
MAOB P27338 1/20 0.39
CNR2 P34972 2/20 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
SCHEMBL25548722 0.79 NQO1 (0.61) NQO1KCNH2LTB4RLTB4R2MAOB
SCHEMBL92159 0.73 NQO1 (0.78) MEN1KMT2ANQO1PARP10MAOB
SCHEMBL8293516 0.72 NQO1 (0.56) ACACBNQO1LMNAMAPTMAPK1
SCHEMBL12230351 0.72 NQO1 (0.56) FFAR1ACACBMEN1KMT2ANQO1
SCHEMBL13400766 0.71 NQO1 (0.61) NQO1LMNAMAPTMAOBCNR2
SCHEMBL1261774 0.71 CHRNA7 (0.37) FFAR1LMNAMAPT
SCHEMBL17736101 0.71 NPC1 (0.42) FFAR1LMNAMAPTMAPK1
SCHEMBL14174217 0.71 KCNH2 (0.50) KMT2ANQO1KCNH2LTB4RLTB4R2
SCHEMBL26319795 0.71 KCNH2 (0.50) KMT2ANQO1KCNH2LTB4RLTB4R2
SCHEMBL28616323 0.71 NQO1 (0.74) ACACBNQO1LMNAPARP10

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-8168734-B2 Lateral alpha-substituted acrylate compound and polymer thereof JNC CORPORATION (JP) 2012-05-01 US disclosed