SCHEMBL8780485

SCHEMBL8780485

CCCCc1c(C(=O)O)nc2ccccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
DHODH Q02127 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP1 P09874 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TACR3 P29371 1/20 0.44
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL8413948 0.87 SMN1; SMN2 (0.47) POLBHTTRXFP1ALDH1A1KDM4E
SCHEMBL2809797 0.85 ALDH1A1 (0.52) RXFP1ALDH1A1KDM4EHPGDDHODH
SCHEMBL7851755 0.82 ALDH1A1 (0.45) POLBRXFP1ALDH1A1KDM4EHPGD
SCHEMBL27978854 0.80 ERN1 (0.49) POLBHTTRXFP1ALDH1A1KDM4E
SCHEMBL20606236 0.78 MAPT (0.47) ALDH1A1KDM4EDHODHMAPTSMN1; SMN2
SCHEMBL10647975 0.78 TLR8 (0.52) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2908831 0.77 ALDH1A1 (0.62) HTTALDH1A1DHODHMAPTSMN1; SMN2
SCHEMBL7568434 0.77 TLR8 (0.53) POLBHTTRXFP1ALDH1A1KDM4E
SCHEMBL296952 0.74 ALDH1A1 (0.63) POLBALDH1A1KDM4EDHODHMAPT
SCHEMBL29849579 0.74 ALDH1A1 (0.63) POLBALDH1A1KDM4EDHODHMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498722-B1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-07-30 EP disclosed
EP-0498722-A1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed