SCHEMBL21763758

SCHEMBL21763758

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3cccc4oc5ccccc5c34)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 2/20 0.39
CDC14A Q9UNH5 2/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
NTRK1 P04629 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
MAOA P21397 3/20 0.37
CYP3A4 P08684 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
PGAM1 P18669 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 2/20 0.37
TP53 P04637 2/20 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
SCHEMBL27341253 0.95 CA1 (0.39) CDC14BCDC14ACA1CA2NTRK1
SCHEMBL20650647 0.95 CDC14B (0.40) CDC14BCDC14ACA1CA2NTRK1
SCHEMBL18905003 0.94 CDC14B (0.40) CDC14BCDC14ACA1CA2NTRK1
SCHEMBL2589799 0.93 CDC14B (0.42) CDC14BCDC14ACA1CA2MAOA
SCHEMBL30022013 0.93 CDC14B (0.42) CDC14BCDC14ACA1CA2MAOA
SCHEMBL30021002 0.93 CDC14B (0.42) CDC14BCDC14ACA1CA2MAOA
SCHEMBL30332701 0.93 CDC14B (0.42) CDC14BCDC14ACA1CA2MAOA
SCHEMBL22705815 0.92 ALOX5 (0.38) CDC14BCDC14ACA1CA2NTRK1
SCHEMBL24285531 0.92 CDC14B (0.38) CDC14BCDC14ACA1CA2NTRK1
SCHEMBL27341245 0.92 CA1 (0.41) CDC14BCDC14ACA1CA2MAOA

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-2020040514-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-02-27 WO disclosed