SCHEMBL28604161

SCHEMBL28604161

CCCCCc1c(C(N)=O)c2c(C(N)=O)ccc3c4ccc(C(=O)O)c5c(C(=O)O)ccc(c(c1CCCCC)c23)c54

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.37
▸ RARB P10826 3/20 0.37
▸ PLK1 P53350 5/20 0.36
▸ PPARG P37231 2/20 0.35
▸ KAT8 Q9H7Z6 4/20 0.34
▸ BID P55957 3/20 0.34
▸ MCL1 Q07820 3/20 0.34
▸ BCL2L1 Q07817 2/20 0.34
▸ BAK1 Q16611 2/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34

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
SCHEMBL27961894 0.99 PPARA (0.39) PPARARARBPLK1PPARGKAT8
SCHEMBL27631339 0.92 PPARA (0.41) PPARARARBPLK1PPARGKAT8
SCHEMBL28135171 0.90 PPARA (0.43) PPARARARBPLK1PPARGKAT8
SCHEMBL3175544 0.90 PPARA (0.43) PPARARARBPLK1PPARGKAT8
SCHEMBL28135172 0.90 PPARA (0.43) PPARARARBPLK1PPARGKAT8
SCHEMBL28370008 0.90 PPARA (0.38) PPARARARBPLK1PPARGKAT8
SCHEMBL28184233 0.88 PPARA (0.38) PPARARARBPLK1PPARGKAT8
SCHEMBL31285691 0.86 RAD52 (0.34) —
SCHEMBL26980047 0.86 PPARA (0.47) PPARARARBPLK1PPARGKAT8
SCHEMBL29892147 0.85 CYP1A2 (0.30) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039659-B Self-assembled monolayers for electrode modification and devices comprising such self-assembled monolayers 默克专利有限公司 2024-07-05 — — CN disclosed
CN-113039659-A Self-assembled monolayers for electrode modification and devices comprising such self-assembled monolayers 默克专利有限公司 2021-06-25 — — CN disclosed
Send feedback