SCHEMBL9869357

SCHEMBL9869357

CCc1cc(C(=O)O)c(C(=O)O)nc1COC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38
GABRQ Q9UN88 3/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL9316235 0.81 POLB (0.39) POLBTDP1L3MBTL1GABRPGABRD
SCHEMBL9869186 0.77 CA12 (0.42) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL6840685 0.75 HCAR2 (0.44) POLBTDP1L3MBTL1GABRPGABRD
SCHEMBL9869319 0.70 POLB (0.41) POLBTDP1L3MBTL1GABRPGABRD
SCHEMBL9869975 0.70 GABRP (0.37) POLBL3MBTL1GABRPGABRDGABRA1
SCHEMBL14900060 0.70 TDP1 (0.46) POLBTDP1L3MBTL1GABRPGABRD
SCHEMBL2338977 0.69 KDM5A (0.40) POLBTDP1L3MBTL1GABRPGABRD
SCHEMBL9317179 0.68 MEN1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL258457 0.68 ALDH1A1 (0.43) L3MBTL1GABRPGABRDGABRA1GABRB1
SCHEMBL4116012 0.68 GABRP (0.50) TDP1GABRPGABRDGABRA1GABRB1

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