SCHEMBL8828077

SCHEMBL8828077

Cc1cc2cc(C(=O)O)c(=O)[nH]c2cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.58
HSD17B10 Q99714 9/20 0.58
HPGD P15428 4/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 7/20 0.56
POLB P06746 2/20 0.56
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
CYP1A2 P05177 1/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 4/20 0.47
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL10330642 0.79 DAO (0.63) KDM4EHSD17B10HPGDGAAALDH1A1
SCHEMBL10969986 0.79 KDM4E (0.66) KDM4EHSD17B10HPGDGAAALDH1A1
SCHEMBL8828102 0.79 KDM4E (0.53) KDM4EHSD17B10HPGDGAAALDH1A1
SCHEMBL14128774 0.79 GRIA1 (0.53) KDM4EHSD17B10HPGDGAAALDH1A1
SCHEMBL10318742 0.78 KDM4E (0.64) KDM4EHSD17B10HPGDGAAALDH1A1
SCHEMBL585033 0.76 KDM4E (0.54) KDM4EHSD17B10HPGDGAAALDH1A1
SCHEMBL4067945 0.76 HSD17B10 (0.61) KDM4EHSD17B10HPGDALDH1A1POLB
SCHEMBL11052835 0.76 KDM4E (0.54) KDM4EHSD17B10HPGDGAAALDH1A1
SCHEMBL7682186 0.76 GPR35 (0.63) KDM4EHSD17B10HPGDALDH1A1MAPT
SCHEMBL10318875 0.74 KDM4E (0.59) KDM4EHSD17B10HPGDGAAALDH1A1

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-5646132-A TREATING CEREBRAL ISCHEMIA ADIR ET COMPAGNIE (FR) 1997-07-08 US disclosed
US-5536709-A INHIBITORS OF HYPERACTIVATION OF EXCITATORY AMINO ACIDS ADIR ET COMPAGNIE (FR) 1996-07-16 US disclosed