SCHEMBL11035330

SCHEMBL11035330

CCCCCc1ccc(C(=O)O)c(CCCCC)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.63
GABRD O14764 2/20 0.63
GABRA1 P14867 2/20 0.63
GABRB1 P18505 2/20 0.63
GABRG2 P18507 2/20 0.63
GABRB3 P28472 2/20 0.63
GABRA5 P31644 2/20 0.63
GABRA3 P34903 2/20 0.63
GABRA2 P47869 2/20 0.63
GABRB2 P47870 2/20 0.63
GABRA4 P48169 2/20 0.63
GABRE P78334 2/20 0.63
GABRA6 Q16445 2/20 0.63
GABRG1 Q8N1C3 2/20 0.63
GABRG3 Q99928 2/20 0.63
GABRQ Q9UN88 2/20 0.63
PPARA Q07869 3/20 0.48
KCNH2 Q12809 1/20 0.47
PPARG P37231 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44

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
SCHEMBL30985304 0.93 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30985305 0.83 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31481097 0.77 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1969600 0.77 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7386044 0.74 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
Bicarbonate SCHEMBL10966197 0.74 KCNH2 (0.78) PPARAKCNH2PPARGKAT8LTB4R
SCHEMBL2754306 0.74 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3719445 0.73 PPARA (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14354160 0.73 KCNH2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5002869 0.73 GABRP (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064385-B1 2,6-DIARYL-PYRIDINECARBOXYLIC ACIDS AND THEIR THERAPEUTIC UTILITY THE UPJOHN COMPANY (US) 1986-04-02 EP disclosed
US-4377586-A Diuretic 2,6-diaryl-4-pyridine carboxylic acids THE UPJOHN COMPANY (US) 1983-03-22 US disclosed
EP-0064385-A1 2,6-Diaryl-pyridinecarboxylic acids and their therapeutic utility THE UPJOHN COMPANY (US) 1982-11-10 EP disclosed
EP-0064385-A1 2,6-Diaryl-pyridinecarboxylic acids and their therapeutic utility THE UPJOHN COMPANY (US) 1982-11-10 EP disclosed