SCHEMBL5593853

SCHEMBL5593853

COC(=O)C=Cc1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ TYR P14679 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ APP P05067 2/20 0.51
▸ TTR P02766 1/20 0.51
▸ PTPN1 P18031 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL5673590 0.82 KDM4E (0.62) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL5673587 0.82 KDM4E (0.62) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL21620882 0.81 APP (0.69) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL28989627 0.81 APP (0.57) CA12CA1CA7CA9CA14
SCHEMBL14619003 0.81 KDM4E (0.61) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL5593815 0.81 KDM4E (0.61) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL69618 0.79 TTR (0.66) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL5593851 0.78 ALDH1A1 (0.45) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL1481293 0.75 TTR (0.61) KDM4EKMT2ASMN1; SMN2CA12CA1
SCHEMBL18405874 0.75 APP (0.61) KDM4EKMT2ASMN1; SMN2CA12CA1

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-2007022263-A1 FLUOROGENIC PROBES FOR MEDIUM CHAIN ACYL-COA DEHYDROGENASE ( MCAD ) THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-02-22 — — WO disclosed
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