SCHEMBL5313265

SCHEMBL5313265

Cc1csc(C(=O)CCC(=O)C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.49
GSK3B P49841 3/20 0.38
FAAH O00519 8/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
CES1 P23141 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CES2 O00748 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL15979699 0.86 DAO (0.63) DAOGSK3BCTNNB1WNT3ACES1
SCHEMBL6917802 0.80 DAO (0.60) DAOGSK3BMEN1KMT2ANPC1
SCHEMBL3867877 0.80 DAO (0.55) DAOGSK3BCTNNB1WNT3AMEN1
SCHEMBL15979698 0.78 GSK3B (0.62) DAOGSK3BCTNNB1WNT3ACES1
SCHEMBL28474265 0.78 DAO (0.57) DAOGSK3BMEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL30785229 0.77 DAO (0.45) DAOFAAHCES1MEN1KMT2A
SCHEMBL15979708 0.77 DAO (0.52) DAOGSK3BCTNNB1WNT3AMEN1
SCHEMBL2773258 0.76 DAO (0.55) DAOGSK3B
SCHEMBL7253264 0.75 DAO (0.59) DAOHDAC6HDAC3HDAC4HDAC1
SCHEMBL15979705 0.74 RAB9A (0.68) GSK3BCTNNB1WNT3AMEN1KMT2A

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