SCHEMBL25439609

SCHEMBL25439609

CCc1cc(C(=O)O)c(OCCCCC(C)C)c(CC)c1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.44
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
MAPK1 P28482 1/20 0.36
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
C5 P01031 1/20 0.34
ALDH1A1 P00352 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

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
SCHEMBL25438710 0.96 THRA (0.39) RARBTHRATHRBGRIN2DGRIN2A
SCHEMBL25438471 0.92 THRA (0.46) RARBTHRATHRBMAPK1ALOX5
SCHEMBL25435590 0.89 RARB (0.40) RARBTHRATHRBGRIN2DGRIN2A
SCHEMBL25434965 0.87 GABRP (0.40) RARBTHRATHRBGRIN2DGRIN2A
SCHEMBL25437418 0.84 LTB4R (0.38) RARBTHRATHRBGRIN2DGRIN2A
SCHEMBL25437078 0.84 PLA2G2A (0.49) THRATHRBPLA2G2A
SCHEMBL25438596 0.84 DHODH (0.38) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL25438049 0.84 CNR2 (0.45) RARBTHRATHRBALDH1A1GABRP
SCHEMBL25435791 0.83 GABRP (0.40) RARBTHRATHRBGRIN2DGRIN2A
SCHEMBL25438403 0.82 KMT2A (0.41) THRATHRBALDH1A1GABRPGABRD

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
EP-2785752-B1 INTERNAL ELECTRON DONOR FOR OLEFIN POLYMERIZATION CATALYSTS, METHOD OF MAKING AND USING THE SAME BRASKEM AMERICA INC (US) 2023-05-31 EP claimed