SCHEMBL2556731

SCHEMBL2556731

CCOC(=O)C=Cc1ccc(OC)c2oc3cnccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.42
CDK8 P49336 5/20 0.42
FDPS P14324 1/20 0.41
MAOB P27338 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
DPP4 P27487 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B1 P14061 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2563005 0.92 CCNC (0.42) CCNCCDK8FDPSMAOBCDK19
SCHEMBL2562005 0.92 CCNC (0.42) CCNCCDK8FDPSCDK19DPP4
SCHEMBL2562008 0.92 CCNC (0.42) CCNCCDK8FDPSCDK19DPP4
SCHEMBL2563026 0.88 CCNC (0.40) CCNCCDK8CDK19DPP4CYP3A4
SCHEMBL2559729 0.88 CCNC (0.44) CCNCCDK8MAOBCDK19DPP4
SCHEMBL2559731 0.88 CCNC (0.44) CCNCCDK8MAOBCDK19DPP4
SCHEMBL2562773 0.86 HPGD (0.41) CCNCCDK8MEN1LMNAMAPT
SCHEMBL2560821 0.86 HPGD (0.41) CCNCCDK8MEN1LMNAMAPT
SCHEMBL2557440 0.86 CCNC (0.38) CCNCCDK8FDPSCDK19DPP4
SCHEMBL2557438 0.86 CCNC (0.38) CCNCCDK8FDPSCDK19DPP4

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-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed