SCHEMBL8995682

SCHEMBL8995682

CCc1nc(C(=O)O)c(C(=O)O)c(CC)c1COC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32

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
SCHEMBL8995696 0.86 GABRP (0.37) ADORA3POLBTDP1L3MBTL1HCAR2
SCHEMBL29188835 0.80 GABRP (0.33) ADORA3HCAR2GABRPGABRDGABRA1
SCHEMBL8977089 0.78 KDM4E (0.33) KMO
SCHEMBL8995714 0.76 HCAR2 (0.41) ADORA3L3MBTL1HCAR2GABRPGABRD
SCHEMBL9784571 0.76 HCAR2 (0.41) ADORA3POLBTDP1L3MBTL1HCAR2
SCHEMBL9784563 0.74 HCAR2 (0.38) ADORA3TDP1L3MBTL1HCAR2DPP4
SCHEMBL29774205 0.73 TDP1 (0.39) TDP1HCAR2MEN1NPC1KMT2A
SCHEMBL30843807 0.72 ALDH1A1 (0.35) KMOPOLBTDP1L3MBTL1HCAR2
SCHEMBL30968740 0.71 HCAR2 (0.33) ADORA3HCAR2GABRPGABRDGABRA1
SCHEMBL14900114 0.68 HCAR2 (0.38) KMOPOLBTDP1L3MBTL1HCAR2

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
EP-0461403-B1 Process for the preparation of dialkyl pyridine-2,3-dicarboxylate and derivatives thereof from dialkyl dichlorosucciante AMERICAN CYANAMID CO (US) 1996-08-28 EP claimed