SCHEMBL27770533

SCHEMBL27770533

CC(=O)Oc1cccc(N)c1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
PTGS2 P35354 3/20 0.39
TSHR P16473 2/20 0.39
BLM P54132 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 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
SCHEMBL17054139 0.87 GRM6 (0.39) GRM6KDM4EALDH1A1HSD17B10HPGD
SCHEMBL2730411 0.84 GRM6 (0.49) GRM6KDM4EALDH1A1HSD17B10HPGD
SCHEMBL16680460 0.83 THRB (0.40) GRM6KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7861823 0.79 GRM6 (0.39) GRM6KDM4EALDH1A1HSD17B10HPGD
SCHEMBL2718238 0.78 CA12 (0.48) GRM6KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4644479 0.76 GRM6 (0.43) GRM6KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10982569 0.76 GRM6 (0.43) GRM6KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6830109 0.76 POLB (0.45) GRM6KDM4EALDH1A1HSD17B10HPGD
SCHEMBL976497 0.75 MMP2 (0.47) GRM6MAPK1KDM4EALDH1A1HSD17B10
SCHEMBL3188087 0.75 KDM4E (0.50) MAPK1KDM4EALDH1A1HSD17B10HPGD

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
CN-101622243-A Sulfonamide derivative ASAHI KASEI PHARMA CORP 2010-01-06 CN disclosed