SCHEMBL28989705

SCHEMBL28989705

CCCOC(=O)C(C)=Cc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GUSB P08236 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TOP2A P11388 1/20 0.33

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
SCHEMBL28989634 0.83 KDM4E (0.49) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL21176416 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTGUSB
SCHEMBL28989936 0.82 HPGD (0.37) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL28989933 0.80 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL28989931 0.78 APP (0.45) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL18832054 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTGUSB
SCHEMBL27762326 0.76 GUSB (0.48) ALDH1A1KDM4EHPGDMAPTGUSB
SCHEMBL28553486 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTGUSB
SCHEMBL28385950 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTKMT2APOLB
SCHEMBL29113046 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMAPTKMT2A

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-115989251-A Composition comprising an additive having polycyclic aromatic groups 伊英克公司 2023-04-18 — — CN disclosed
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