SCHEMBL5673971

SCHEMBL5673971

Cc1nc(Cl)c(/C=C/C(=O)O)n1Cc1ccc(NC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.40
MAPKAPK2 P49137 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ACSS2 Q9NR19 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPER1 Q99527 1/20 0.38
MAPK14 Q16539 1/20 0.37
RORC P51449 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL5673981 1.00 PTGDR2 (0.40) PTGDR2MAPKAPK2MAPTALDH1A1ACSS2
SCHEMBL5675605 0.85 PPARG (0.36) PTGDR2MAPKAPK2MAPTALDH1A1ACSS2
SCHEMBL5675418 0.85 PTGDR2 (0.43) PTGDR2MAPTALDH1A1ACSS2SMN1; SMN2
SCHEMBL5675600 0.85 PPARG (0.36) PTGDR2MAPKAPK2MAPTALDH1A1ACSS2
SCHEMBL5675423 0.85 PTGDR2 (0.43) PTGDR2MAPTALDH1A1ACSS2SMN1; SMN2
SCHEMBL5675542 0.83 PPARG (0.48) PTGDR2
SCHEMBL5675551 0.83 PPARG (0.48) PTGDR2
SCHEMBL5675500 0.81 TBXA2R (0.32) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL5675496 0.81 TBXA2R (0.32) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL6185200 0.81 TBXA2R (0.46) ALDH1A1SMN1; SMN2HTTKDM4EHPGD

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-7060721-B1 Imidazole compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-06-13 US disclosed
EP-1142879-A1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed