SCHEMBL28989660

SCHEMBL28989660

CCCOC(=O)C(C)=Cc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ APP P05067 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PPARA Q07869 1/20 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
SCHEMBL28989823 0.96 DHODH (0.43) PLA2G4ADHODHALDH1A1POLBGAA
SCHEMBL28989664 0.92 PLA2G4A (0.45) PLA2G4ADHODHALDH1A1LMNACYP3A4
SCHEMBL10501798 0.85 MEN1 (0.50) DHODHALDH1A1GAALMNACYP2C9
SCHEMBL28989936 0.84 HPGD (0.37) PLA2G4AALDH1A1POLBGAASMN1; SMN2
SCHEMBL29188761 0.81 DHODH (0.46) DHODHPTGS2APP
SCHEMBL1683262 0.81 MEN1 (0.56) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL28989933 0.79 KDM4E (0.40) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL27512287 0.77 DHODH (0.50) DHODHPTGS1PTGS2APP
SCHEMBL5606791 0.77 ESR1 (0.51) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL27536182 0.77 DHODH (0.50) DHODHPTGS1PTGS2APP

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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