SCHEMBL28989823

SCHEMBL28989823

CCCOC(=O)C(C)=Cc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.43
▸ PTGS1 P23219 2/20 0.42
▸ PTGS2 P35354 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ PLA2G4A P47712 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ APP P05067 1/20 0.39
▸ MAPT P10636 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
SCHEMBL28989660 0.96 PLA2G4A (0.40) DHODHPTGS1PTGS2ALDH1A1CNR2
SCHEMBL10501798 0.89 MEN1 (0.50) DHODHALDH1A1CNR2GAALMNA
SCHEMBL28989664 0.88 PLA2G4A (0.45) DHODHALDH1A1PLA2G4APPARALMNA
SCHEMBL28989936 0.85 HPGD (0.37) PTGS1PTGS2ALDH1A1PLA2G4AGAA
SCHEMBL1683262 0.82 MEN1 (0.56) ALDH1A1GAAPOLBSMN1; SMN2LMNA
SCHEMBL27512287 0.81 DHODH (0.50) DHODHPTGS1PTGS2APPMAPT
SCHEMBL27536182 0.81 DHODH (0.50) DHODHPTGS1PTGS2APPMAPT
SCHEMBL5606791 0.78 ESR1 (0.51) PTGS1PTGS2ALDH1A1GAAPOLB
SCHEMBL28989933 0.77 KDM4E (0.40) ALDH1A1CNR2GAAPOLBSMN1; SMN2
SCHEMBL29188761 0.77 DHODH (0.46) DHODHPTGS2APPMAPT

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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