SCHEMBL25437889

SCHEMBL25437889

CCCCc1cc(C(=O)O)c(OCC(C)C)c(CCCC)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CNR2 P34972 1/20 0.34
DHODH Q02127 2/20 0.33

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
SCHEMBL25436681 0.90 PPARA (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25435344 0.89 ALOX5 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25435791 0.89 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25435354 0.88 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25434965 0.88 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25436761 0.87 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25438187 0.86 PLA2G2A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25438596 0.85 DHODH (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25436860 0.82 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL26679455 0.81 GABRP (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
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