SCHEMBL25438596

SCHEMBL25438596

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
TP53 P04637 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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 0.88 PPARA (0.36) DHODHTP53GABRPGABRDGABRA1
SCHEMBL25438471 0.87 THRA (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25438710 0.85 THRA (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25437889 0.85 GABRP (0.41) DHODHTP53GABRPGABRDGABRA1
SCHEMBL25439609 0.84 RARB (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25438403 0.83 KMT2A (0.41) DHODHTP53GABRPGABRDGABRA1
SCHEMBL25438049 0.81 CNR2 (0.45) DHODHTP53GABRPGABRDGABRA1
SCHEMBL25438716 0.79 DHODH (0.36) DHODHTP53XDHSLC22A12NR1H4
SCHEMBL25437078 0.79 PLA2G2A (0.49) TP53TSHR
SCHEMBL25439579 0.79 GABRP (0.36) 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