SCHEMBL5312596

SCHEMBL5312596

CSc1ccc(C(=O)CCC(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.46
PLOD2 O00469 2/20 0.45
PLK1 P53350 1/20 0.43
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP1 P03956 1/20 0.41
PLOD3 O60568 1/20 0.40
PLOD1 Q02809 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KCNH2 Q12809 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR7 P34969 1/20 0.38
FLI1 Q01543 1/20 0.37

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
SCHEMBL4032443 0.85 PLOD2 (0.64) HAO1PLOD2PLK1MMP2MMP9
SCHEMBL457696 0.81 HAO1 (0.44) HAO1PLK1MMP2MMP9MMP8
SCHEMBL5717808 0.79 KMT2A (0.63) HAO1PLK1MMP2MMP9MMP8
SCHEMBL7575160 0.79 NR4A2 (0.59) HAO1PLK1KMT2ANPC1RAB9A
SCHEMBL461531 0.79 HAO1 (0.51) HAO1PLK1MMP2MMP9MMP8
SCHEMBL5190530 0.77 HAO1 (0.50) HAO1PLK1MMP2MMP9MMP8
SCHEMBL7202272 0.77 HAO1 (0.50) HAO1PLOD2PLK1MMP2MMP9
SCHEMBL7196791 0.77 L3MBTL1 (0.55) HAO1PLK1MMP2MMP9MMP8
SCHEMBL6755453 0.77 HSD17B3 (0.62) HAO1PLK1MMP2MMP9MMP8
SCHEMBL28983037 0.77 NR4A2 (0.61) KMT2ANPC1RAB9AALDH1A1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed