SCHEMBL28989936

SCHEMBL28989936

CCCOC(=O)C(C)=Cc1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PLA2G4A P47712 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ SLC9A3 P48764 1/20 0.35
▸ SLC9A2 Q9UBY0 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ APP P05067 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.33
▸ GLO1 Q04760 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
SCHEMBL28989823 0.85 DHODH (0.43) POLBALDH1A1GAASMN1; SMN2LMNA
SCHEMBL28989660 0.84 PLA2G4A (0.40) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL28989705 0.82 ALDH1A1 (0.40) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL28989644 0.81 MEN1 (0.42) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL1683262 0.78 MEN1 (0.56) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL28989627 0.77 APP (0.57) ALDH1A1CYP3A4APP
SCHEMBL28989664 0.76 PLA2G4A (0.45) ALDH1A1CYP3A4CYP2C9LMNAPLA2G4A
SCHEMBL28989634 0.74 KDM4E (0.49) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL5606791 0.74 ESR1 (0.51) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL27314946 0.74 MEN1 (0.43) MEN1KMT2APOLBALDH1A1GAA

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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