SCHEMBL30022013

SCHEMBL30022013

c1ccc(-c2ccccc2-c2cccc3oc4ccccc4c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 2/20 0.42
CDC14A Q9UNH5 2/20 0.42
CYP3A4 P08684 3/20 0.42
MAOA P21397 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP1 P29466 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
PGAM1 P18669 1/20 0.42
CASP7 P55210 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
TP53 P04637 2/20 0.41
ABCB1 P08183 2/20 0.41
ADORA3 P0DMS8 2/20 0.41

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
SCHEMBL30021002 1.00 CDC14B (0.42) CDC14BCDC14ACYP3A4MAOAHPGD
SCHEMBL30332701 1.00 CDC14B (0.42) CDC14BCDC14ACYP3A4MAOAHPGD
SCHEMBL2589799 1.00 CDC14B (0.42) CDC14BCDC14ACYP3A4MAOAHPGD
SCHEMBL21763758 0.93 CDC14B (0.39) CDC14BCDC14ACYP3A4MAOAHPGD
SCHEMBL29462014 0.92 CYP3A4 (0.45) CDC14BCDC14ACYP3A4MAOAHPGD
SCHEMBL997084 0.92 CYP3A4 (0.45) CDC14BCDC14ACYP3A4MAOAHPGD
SCHEMBL23597277 0.92 CDC14B (0.38) CDC14BCDC14ACYP3A4MAOAHPGD
SCHEMBL27341245 0.92 CA1 (0.41) CDC14BCDC14ACYP3A4MAOAHPGD
SCHEMBL30332810 0.91 CDC14B (0.40) CDC14BCDC14ACYP3A4MAOAHPGD
Biphenyl SCHEMBL29177825 0.90 CYP3A4 (0.43) CDC14BCDC14ACYP3A4MAOAHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 WO disclosed
WO-2022270430-A1 MIXED POWDER, MIXTURE, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2022-12-29 WO disclosed
WO-2022270428-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed
WO-2022270423-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed
WO-2022244864-A1 MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD 出光興産株式会社 2022-11-24 WO disclosed