SCHEMBL4596230

SCHEMBL4596230

NCc1cc(CC(=O)O)cc(-c2cc(CC(=O)O)cc(CN)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
THRB P10828 3/20 0.38
AKR1B1 P15121 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
HSD17B10 Q99714 3/20 0.37

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
SCHEMBL18805515 0.73 AKR1B1 (0.48) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL18805516 0.73 AKR1B1 (0.48) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL8914656 0.72 GABRA5 (0.44) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL18473272 0.70 ADORA3 (0.52) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL583915 0.70 AKR1B1 (0.60) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL4595837 0.67 GABRP (0.67) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL25309255 0.66 THRB (0.47) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL17670461 0.66 TSHR (0.48) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL15157078 0.66 HTT (0.45) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL27830212 0.65 RXRA (0.41) GABRA5GABRB2GABRPGABRDGABRA1

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-1161685-B1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INT (FR) 2008-01-09 EP disclosed
US-7309567-B1 Method for reducing fluorescence quenching in bioassays CIS BIO INTERNATIONAL (FR) 2007-12-18 US disclosed
EP-1161685-A1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INTERNATIONAL (FR) 2001-12-12 EP disclosed
WO-2000055630-A1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INTERNATIONAL (FR) 2000-09-21 WO disclosed