SCHEMBL7369987

SCHEMBL7369987

COC(=O)CCCCCCCCCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
HTR2A P28223 1/20 0.49
MGLL Q99685 2/20 0.48
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.42

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
SCHEMBL18631907 1.00 BCL9 (0.52) BCL9CTNNB1HTR2AMGLLMAPT
SCHEMBL9846626 1.00 BCL9 (0.52) BCL9CTNNB1HTR2AMGLLMAPT
SCHEMBL10062012 0.88 HTR2A (0.56) BCL9CTNNB1HTR2AMGLLMAPT
SCHEMBL22959846 0.88 HTR2A (0.56) BCL9CTNNB1HTR2AMGLLMAPT
SCHEMBL9846632 0.87 HTR2A (0.55) BCL9CTNNB1HTR2AMGLLMAPT
SCHEMBL30864656 0.87 BCL9 (0.49) BCL9CTNNB1HTR2AMGLLMAPT
SCHEMBL26601519 0.87 BCL9 (0.49) BCL9CTNNB1HTR2AMGLLMAPT
SCHEMBL19246047 0.86 HTR2A (0.49) BCL9CTNNB1HTR2AMGLLMAPT
SCHEMBL14876975 0.85 HTR2A (0.54) BCL9CTNNB1HTR2AMGLLMAPT
SCHEMBL18689537 0.85 PTGS2 (0.58) BCL9CTNNB1MAPTL3MBTL1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5907068-A TRIFLUOROMETHYLSUBSTITUTED COMPOUND INCLUDED IN PEPTIDES ZENECA INC. (US) 1999-05-25 US disclosed
US-5726158-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE USEFUL IN TREATING TISSUE DEGENERATIVE DISEASES; TRIFLUOROMETHYL KETONE SUBSTITUTED DI-, TRI-, AND TETRA-PEPTIDE DERIVATIVES ZENECA INC. (US) 1998-03-10 US disclosed
US-5414132-A Peptide intermediates ZENECA INC. (US) 1995-05-09 US disclosed
US-5194588-A Inhibitors of human leukocyte elastase, di-, tri- and tetra-peptides ICI AMERICAS INC. (US) 1993-03-16 US disclosed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP disclosed
US-5055450-A Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase ICI AMERICAS INC. (US) 1991-10-08 US disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 EP disclosed