SCHEMBL7368880

SCHEMBL7368880

CCOC(=O)C(CCOc1ccccc1)(CCOc1ccccc1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
PIN1 Q13526 1/20 0.47
PPARA Q07869 1/20 0.47
RECQL P46063 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11068766 0.89 TDP1 (0.48) TDP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6717973 0.82 ALDH1A1 (0.45) TDP1MAPTRAB9APPARARECQL
SCHEMBL11656460 0.80 TDP1 (0.55) TDP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL28729068 0.80 TDP1 (0.55) TDP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9375026 0.80 TDP1 (0.55) TDP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9115091 0.78 MMP8 (0.50) TDP1SMN1; SMN2GAAPIN1RECQL
SCHEMBL8070653 0.77 TDP1 (0.51) TDP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL18065668 0.77 ALDH1A1 (0.51) TDP1MAPTSMN1; SMN2PIN1RECQL
SCHEMBL1964634 0.76 TDP1 (0.50) TDP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10713545 0.76 THRB (0.50) TDP1MAPTSMN1; SMN2RAB9ANPC1

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