SCHEMBL5513428

SCHEMBL5513428

CCCCc1c(C2CCCCC2)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.39
PPARG P37231 2/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
ACMSD Q8TDX5 1/20 0.37

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
SCHEMBL5518204 0.92 ACMSD (0.38) PPARAPPARGPTGDR2ACMSDCAMKK2
SCHEMBL5520149 0.86 ACMSD (0.40) PTGDR2ACMSDCAMKK2CAMKK1
SCHEMBL23930318 0.82 BID (0.41) PPARAPPARGCNR1CNR2BID
SCHEMBL5524019 0.80 ACMSD (0.38) PTGDR2ACMSDCAMKK2CAMKK1
Cyclohexane SCHEMBL5060767 0.79 BID (0.42) PPARAPPARGGABRPGABRDGABRA1
SCHEMBL1702164 0.79 CNR1 (0.38) PPARAPPARGGABRPGABRDGABRA1
SCHEMBL5517325 0.79 ACMSD (0.43) PTGDR2ACMSDCAMKK2CAMKK1
SCHEMBL5072798 0.78 GABRP (0.49) PPARAPPARGGABRPGABRDGABRA1
SCHEMBL14989258 0.77 ACMSD (0.46) PTGDR2ACMSDCAMKK2CAMKK1
SCHEMBL27451543 0.76 ACMSD (0.43) PTGDR2ACMSDCAMKK2CAMKK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
US-7271282-B1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-09-18 US disclosed
EP-0121712-A1 Sustained release compositions from cellulose ethers THE DOW CHEMICAL COMPANY (US) 1984-10-17 EP disclosed