SCHEMBL9004053

SCHEMBL9004053

CCCCc1cc(C(=O)O)ccc1C(=O)c1ccc(C(=O)O)cc1CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.50
RXRA P19793 2/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
LTB4R Q15722 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL459872 0.93 GABRP (0.54) RARBRXRAGABRPGABRDGABRA1
Oxalic Acid SCHEMBL28508104 0.90 GABRP (0.51) RARBRXRAGABRPGABRDGABRA1
SCHEMBL7934928 0.88 RARB (0.54) RARBTP53TSHRMEN1ALDH1A1
SCHEMBL8516008 0.87 PPARA (0.56) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL8515505 0.87 PPARA (0.56) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL7262506 0.87 PPARA (0.56) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL7264156 0.87 PPARA (0.56) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL7263380 0.87 PPARA (0.56) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL7271225 0.87 PPARA (0.56) RARBTP53TSHRPLA2G4BMEN1
SCHEMBL3459040 0.87 PPARA (0.56) RARBTP53TSHRPLA2G4BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733037-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1996-09-25 EP disclosed
WO-1995015941-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1995-06-15 WO disclosed