SCHEMBL7179869

SCHEMBL7179869

CCCCCNc1cccc2[nH]cc(C(=O)O)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
HTT P42858 1/20 0.42
KDM6B O15054 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CDK2 P24941 1/20 0.41
CNR2 P34972 4/20 0.40
CFTR P13569 1/20 0.40
CNR1 P21554 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
CISD1 Q9NZ45 3/20 0.39
PLK1 P53350 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
SCHEMBL11668146 0.73 UTS2R (0.33) CYP1A2ALOX5CNR2CNR1UTS2R
SCHEMBL466141 0.73 PLK1 (0.63) HSD17B10KDM6BKDM4CCNR2CNR1
SCHEMBL23748664 0.72 CNR2 (0.50) HSD17B10KDM6BKDM4CCNR2CNR1
SCHEMBL28310186 0.72 CNR2 (0.50) HSD17B10KDM6BKDM4CCNR2CNR1
SCHEMBL2382976 0.72 CNR2 (0.50) HSD17B10KDM6BKDM4CCNR2CNR1
SCHEMBL7603848 0.72 CNR2 (0.50) HSD17B10KDM6BKDM4CCNR2CNR1
SCHEMBL5272720 0.72 PLK1 (0.66) HSD17B10KDM6BKDM4CCNR2CNR1
SCHEMBL11432358 0.72 PLK1 (0.66) HSD17B10KDM6BKDM4CCNR2CNR1
SCHEMBL11430175 0.72 PLK1 (0.66) HSD17B10KDM6BKDM4CCNR2CNR1
SCHEMBL3475665 0.72 PLK1 (0.66) HSD17B10KDM6BKDM4CCNR2CNR1

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
JP-2003160567-A METHOD FOR PRODUCING 5-ACYLAMINO-4-OXOQUINOLINE-3- CARBOXYLIC ACID DERIVATIVE AND ITS INTERMEDIATE DAI ICHI SEIYAKU CO LTD 2003-06-03 JP disclosed