SCHEMBL4558645

SCHEMBL4558645

CCCCCc1cc(C(=O)O)c(N)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.55
GABRD O14764 2/20 0.55
GABRA1 P14867 2/20 0.55
GABRB1 P18505 2/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRB2 P47870 2/20 0.55
GABRA4 P48169 2/20 0.55
GABRE P78334 2/20 0.55
GABRA6 Q16445 2/20 0.55
GABRG1 Q8N1C3 2/20 0.55
GABRG3 Q99928 2/20 0.55
GABRQ Q9UN88 2/20 0.55
KAT8 Q9H7Z6 4/20 0.45
PPARA Q07869 4/20 0.45
PPARG P37231 2/20 0.42
BID P55957 3/20 0.42

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
SCHEMBL11800974 0.88 KAT8 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9700182 0.84 KAT8 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11593709 0.84 KAT8 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4633468 0.84 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31484720 0.82 KAT8 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10482893 0.81 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10626153 0.80 KAT8 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14199723 0.80 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11079329 0.79 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2481632 0.79 GABRP (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036956-B1 QUINACRIDONE NANOSKALE PIGMENT PARTICLES XEROX CORP (US) 2018-07-11 EP disclosed
EP-2036956-A2 Quinacridone nanoscale pigment particles Xerox Corporation (US) 2009-03-18 EP disclosed
US-7427323-B1 Quinacridone nanoscale pigment particles XEROX CORPORATION (US) 2008-09-23 US disclosed