SCHEMBL28989644

SCHEMBL28989644

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SLC9A1 P19634 1/20 0.39
▸ SLC9A3 P48764 1/20 0.39
▸ SLC9A2 Q9UBY0 1/20 0.39
▸ AKR1C3 P42330 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35

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
SCHEMBL27536182 0.83 DHODH (0.50) MAPTAKR1C3DHODHPTGS2
SCHEMBL27512287 0.83 DHODH (0.50) MAPTAKR1C3DHODHPTGS2
SCHEMBL28989936 0.81 HPGD (0.37) MEN1KMT2AMAPTHPGDKDM4E
SCHEMBL29188761 0.81 DHODH (0.46) MAPTAKR1C3DHODHPTGS2
SCHEMBL21176416 0.79 ALDH1A1 (0.48) MEN1KMT2AMAPTHPGDKDM4E
SCHEMBL28989646 0.76 ALDH1A1 (0.43) MAPTHPGDKDM4EALDH1A1DHODH
SCHEMBL28720440 0.75 DHODH (0.41) MAPTKDM4EALDH1A1DHODHPTGS2
SCHEMBL28989649 0.75 MTNR1A (0.44) MAPTHPGDKDM4EALDH1A1MTNR1A
SCHEMBL522434 0.74 AKR1C3 (0.64) MEN1KMT2AALDH1A1AKR1C3DHODH
SCHEMBL12276505 0.74 AKR1C3 (0.64) MEN1KMT2AALDH1A1AKR1C3DHODH

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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