SCHEMBL7303922

SCHEMBL7303922

CCCc1cccc2c(C(=O)O)cnn12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.42
PPARG P37231 4/20 0.39
KDM4E B2RXH2 5/20 0.38
TLR8 Q9NR97 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPK14 Q16539 1/20 0.37
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL7303862 0.88 NR4A3 (0.48) NR4A3KDM4ETLR8ALDH1A1TDP1
SCHEMBL7307084 0.83 RAB9A (0.52) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL1290821 0.83 NR4A3 (0.42) NR4A3KDM4ETLR8ALDH1A1TDP1
SCHEMBL7302190 0.77 GABRP (0.37) NR4A3PPARGKDM4E
SCHEMBL7304782 0.76 KDM4E (0.50) NR4A3KDM4ETLR8ALDH1A1TDP1
SCHEMBL7302714 0.72 CHRNA7 (0.46) ALDH1A1GAA
SCHEMBL7300575 0.72 HTR3A (0.52)
SCHEMBL9279114 0.72 KDM4E (0.44) NR4A3KDM4ETLR8ALDH1A1TDP1
SCHEMBL25367626 0.71 KDM4E (0.39) NR4A3KDM4ETLR8ALDH1A1TDP1
SCHEMBL1290672 0.69 KDM4E (0.41) PPARGKDM4EALDH1A1MAPTGAA

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
US-5200415-A Serotonin receptor antagonists; antiemetics, antianxietics ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-06 US disclosed
EP-0483836-A1 Pyrazolo [1,5-a] pyridine-3-carboxylic acid derivatives, their preparation process and their use ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP disclosed