SCHEMBL8187971

SCHEMBL8187971

CCc1cc2ccccc2n(C(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 9/20 0.43
DAO P14920 2/20 0.42
MCL1 Q07820 1/20 0.42
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MAPK1 P28482 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CCR2 P41597 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 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
SCHEMBL12459358 0.84 CCR2 (0.43) DAOALDH1A1CCR2KDM4EHPGD
SCHEMBL28720084 0.78 TP53 (0.42) OXER1DAOMCL1KDM4EHPGD
SCHEMBL2736778 0.76 DAO (0.61) DAOMCL1CASP1CASP7ALDH1A1
SCHEMBL7551690 0.74 OXER1 (0.59) OXER1DAOMCL1NOD2NOD1
SCHEMBL5967722 0.74 MCL1 (0.49) OXER1DAOMCL1NOD2NOD1
SCHEMBL30343692 0.74 MCL1 (0.49) OXER1DAOMCL1NOD2NOD1
SCHEMBL10599312 0.74 KDM4E (0.57) DAOMCL1MAPK1CASP1CASP7
Hydrochloric Acid SCHEMBL4552524 0.73 DAO (0.41) DAOMCL1MAPK1CASP1CASP7
SCHEMBL13531041 0.73 CCR2 (0.55) NOD2NOD1MAPK1ALDH1A1CCR2
SCHEMBL8907557 0.73 OXER1 (0.47) OXER1DAOMCL1NOD2NOD1

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-6114349-A Substituted quinoline derivatives with antiviral action HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed