SCHEMBL9416441

SCHEMBL9416441

CCn1cc(OC(=O)O)c(=O)c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
P2RX3 P56373 1/20 0.41
MAPK9 P45984 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
CPT1A P50416 1/20 0.39
MAT2A P31153 1/20 0.39

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
SCHEMBL9416407 0.85 CNR2 (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL10862874 0.84 POLB (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL5544803 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30906937 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3234629 0.82 TP53 (0.50) P2RX3POLBCNR2
SCHEMBL3234265 0.82 EGLN2 (0.46) MAPK8P2RX3CNR2
SCHEMBL10863325 0.81 NR4A2 (0.52) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL10706702 0.81 HPGD (0.40) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3239683 0.80 P2RX3 (0.43) MAPK8P2RX3POLBCNR2
SCHEMBL3241020 0.80 SLC22A12 (0.45) MAPK8P2RX3MAPK9

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-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 EP disclosed