SCHEMBL29778069

SCHEMBL29778069

CCCCc1cc(C(=O)O)c2c(C(=O)O)ccc3c4ccc(C(=O)O)c5c(C(=O)O)ccc(c1c23)c54

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.43
▸ GABRD O14764 2/20 0.43
▸ GABRA1 P14867 2/20 0.43
▸ GABRB1 P18505 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ GABRA4 P48169 2/20 0.43
▸ GABRE P78334 2/20 0.43
▸ GABRA6 Q16445 2/20 0.43
▸ GABRG1 Q8N1C3 2/20 0.43
▸ GABRG3 Q99928 2/20 0.43
▸ GABRQ Q9UN88 2/20 0.43
▸ PPARA Q07869 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PPARG P37231 1/20 0.38
▸ PDE2A O00408 1/20 0.38

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
SCHEMBL28204666 1.00 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28154475 0.94 PPARA (0.48) PPARAPPARGKAT8RARBRARA
SCHEMBL28204661 0.94 PPARA (0.48) PPARAPPARGKAT8RARBRARA
SCHEMBL28675333 0.94 PPARA (0.48) PPARAPPARGKAT8RARBRARA
SCHEMBL28223234 0.94 PPARA (0.48) PPARAPPARGKAT8RARBRARA
SCHEMBL30804265 0.94 PPARA (0.48) PPARAPPARGKAT8RARBRARA
SCHEMBL28154264 0.94 PPARA (0.48) PPARAPPARGKAT8RARBRARA
SCHEMBL27770542 0.92 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28013449 0.87 PPARA (0.41) PPARAPPARGKAT8RARBRARA
SCHEMBL27704458 0.86 CYP1A2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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-114686204-A Quantum dot composite material, preparation method thereof and quantum dot light-emitting diode TCL科技集团股份有限公司 2022-07-01 — — CN disclosed
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