SCHEMBL9779134

SCHEMBL9779134

COc1ccc(OCCOc2ccc(C3OCCCO3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.42
KCNH2 Q12809 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
GAA P10253 1/20 0.40
LTA4H P09960 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL9778655 0.93 KDM4E (0.44) KDM4EMAPTKCNH2GAAPKM
SCHEMBL9778992 0.90 KDM1A (0.46) MAPTGAAHPGDSMN1; SMN2
SCHEMBL9778697 0.87 KDM4E (0.44) KDM4EKCNH2HRH3SMN1; SMN2
SCHEMBL9778813 0.86 APP (0.51) MAPTHRH3HPGDSMN1; SMN2
SCHEMBL29950610 0.86 KDM1A (0.46) MAPTGAAHPGDSMN1; SMN2
SCHEMBL9778602 0.85 MAOB (0.47) KCNH2HRH3LTA4HHPGDPKM
SCHEMBL9778840 0.84 MAOB (0.49) KCNH2HRH3LTA4HHPGD
SCHEMBL4723773 0.82 MAOA (0.48) MAPTHPGDSMN1; SMN2
SCHEMBL9778856 0.82 KCNA3 (0.48) KCNH2HRH3LTA4HHPGDPKM
SCHEMBL9778740 0.82 DRD2 (0.43) KDM4EMAPTKCNH2HRH3HPGD

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
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed