SCHEMBL28910527

SCHEMBL28910527

C=CC(=O)Oc1c(C)ccc2cc3ccccc3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ THRB P10828 4/20 0.38
▸ GAA P10253 3/20 0.37
▸ HTT P42858 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
SCHEMBL27947715 0.86 TSHR (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
Hydrogen Sulfide SCHEMBL28837728 0.85 TSHR (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL29499560 0.84 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL22978737 0.84 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7800631 0.81 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL29503708 0.81 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL28244530 0.81 HPGD (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21733603 0.79 CYP1A2 (0.44) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL561617 0.77 TYMS (0.45) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL28033959 0.77 HTT (0.50) KDM4EALDH1A1MAPTHPGDMEN1

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
CN-108603036-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学株式会社 2021-02-19 — — CN disclosed
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