SCHEMBL9869975

SCHEMBL9869975

CCc1cc(C(=O)O)c(C(=O)O)nc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9869357 0.70 POLB (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24908590 0.68 POLB (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18279377 0.67 FABP4 (0.33) KDM4EFABP4FABP5L3MBTL1
SCHEMBL18279322 0.67 LMNA (0.31) FABP4FABP5
SCHEMBL9317179 0.67 MEN1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6103362 0.67 FABP4 (0.42) POLBKMT2AFABP4FABP5ALDH1A1
SCHEMBL258457 0.67 ALDH1A1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2334997 0.67 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4116012 0.67 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29110843 0.65 ALDH1A1 (0.41) 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
US-4997947-A Forming 6-substituted pyridine-2,3-dicarboxylic esters followed by reacting with aminoalkanecarboxylic acid amide; herbicides, plant growth regulators CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed