SCHEMBL28842963

SCHEMBL28842963

CCCCC(CCCC)c1cc(C(N)=O)c2c(C(N)=O)ccc3c4ccc(C(=O)O)c5c(C(=O)O)ccc(c1c23)c54

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PPARA Q07869 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ GABRE P78334 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32

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
SCHEMBL28736817 0.95 PPARA (0.36) ACE2CYP1A2PPARAKDM4EMEN1
SCHEMBL29191718 0.82 ACE2 (0.40) ACE2CYP1A2PPARAKDM4EMEN1
SCHEMBL29913873 0.82 CYP1A2 (0.31) CYP1A2KDM4EMEN1RECQLKMT2A
SCHEMBL28193630 0.80 ALDH1A1 (0.35) PPARAKDM4EMEN1RECQLKMT2A
SCHEMBL29209225 0.80 ACE2 (0.34) ACE2CYP1A2
SCHEMBL29260898 0.79 CYP1A2 (0.41) ACE2CYP1A2PPARAKDM4EMEN1
SCHEMBL27770542 0.78 GABRP (0.42) CYP1A2PPARAKDM4EMEN1KMT2A
SCHEMBL29539455 0.78 ALDH1A1 (0.34) PPARAKDM4EMEN1RECQLKMT2A
SCHEMBL31050898 0.78 PPARA (0.43) PPARAKDM4EMEN1KMT2AGABRP
SCHEMBL29104785 0.78 PPARA (0.43) PPARAKDM4EMEN1KMT2AGABRP

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-115047712-A Colored resin composition and compound 住友化学株式会社 2022-09-13 — — CN disclosed
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