SCHEMBL18924725

SCHEMBL18924725

COc1cc(C)c(-c2cc(O)ccc2O)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.58
▸ ESR1 P03372 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ G6PD P11413 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 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
SCHEMBL19820292 0.86 ALDH1A1 (0.41) MAOBESR1KDM4EMAPTG6PD
SCHEMBL16024771 0.85 NPC1 (0.46) MAOBKDM4EMAPTG6PDMAPK1
SCHEMBL17753390 0.75 ESR2 (0.67) MAOBESR1KDM4EMAPTG6PD
SCHEMBL11776866 0.75 MAOB (0.57) MAOBKDM4EMAPTMAPK1ALDH1A1
SCHEMBL29373807 0.75 MAOB (1.00) MAOBMAPTMAPK1ALDH1A1HPGD
SCHEMBL62784 0.75 MAOB (1.00) MAOBMAPTMAPK1ALDH1A1HPGD
SCHEMBL14627946 0.74 ALDH1A1 (0.52) MAOBESR1KDM4EMAPTG6PD
SCHEMBL11406884 0.73 MAOB (0.50) MAOBESR1MAPTCYP3A4ESR2
Methoxymethane SCHEMBL10894687 0.73 MAOB (0.95) MAOBMAPTMAPK1ALDH1A1HPGD
Water SCHEMBL31548584 0.73 MAOB (0.95) MAOBMAPTMAPK1ALDH1A1HPGD

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-9670239-B2 Bisphosphites having an outer naphthyl-phenyl unit and a central 2,3′-biphenol unit EVONIK DEGUSSA GMBH (DE) 2017-06-06 — — US disclosed
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