SCHEMBL7833166

SCHEMBL7833166

CC(O)(C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1CO2)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.54
ABCC8 Q09428 7/20 0.54
KCNJ11 Q14654 7/20 0.54
KCNJ8 Q15842 7/20 0.54
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PDK1 Q15118 2/20 0.49
PDK2 Q15119 2/20 0.49
PDK3 Q15120 2/20 0.49
PDK4 Q16654 2/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48

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
SCHEMBL7832140 0.91 MAPK14 (0.56) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5763615 0.86 PDK1 (0.54) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL7833285 0.85 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7829732 0.84 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7829722 0.83 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7829727 0.83 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7830325 0.83 PDK1 (0.50) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL7833294 0.82 NPC1 (0.55) ABCC9ABCC8KCNJ11KCNJ8RAB9A
SCHEMBL7832756 0.80 ALDH1A1 (0.57) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7832380 0.80 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1

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-0798288-B1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2001-05-16 EP disclosed
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 EP disclosed