SCHEMBL2562733

SCHEMBL2562733

CCOc1ccc(C=CC(=O)O)c2c1oc1cnccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
KMT2A Q03164 4/20 0.38
GLA P06280 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
BRAF P15056 2/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
CYP1A1 P04798 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1B1 Q16678 3/20 0.35
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2562731 1.00 KDM4E (0.39) KDM4EALDH1A1GAAKMT2AGLA
SCHEMBL2562008 0.90 CCNC (0.42) CYP19A1CYP11B1CYP11B2BRAFEIF2AK3
SCHEMBL2562005 0.90 CCNC (0.42) CYP19A1CYP11B1CYP11B2BRAFEIF2AK3
SCHEMBL2562773 0.88 HPGD (0.41) KDM4EALDH1A1GAAKMT2ALMNA
SCHEMBL2560821 0.88 HPGD (0.41) KDM4EALDH1A1GAAKMT2ALMNA
SCHEMBL2556489 0.84 CYP19A1 (0.40) KDM4EALDH1A1GAAKMT2ACYP19A1
SCHEMBL7707992 0.83 PDE4B (0.43) KMT2ALMNAMEN1SMN1; SMN2HPGD
SCHEMBL2556731 0.81 CCNC (0.42) KMT2ALMNABRAFEIF2AK3CYP1A1
SCHEMBL2557438 0.80 CCNC (0.38) CYP19A1CYP11B1CYP11B2BRAFEIF2AK3
SCHEMBL2557440 0.80 CCNC (0.38) CYP19A1CYP11B1CYP11B2BRAFEIF2AK3

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