SCHEMBL7370624

SCHEMBL7370624

CCOC(=O)CCCOc1ccc(C(N)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.63
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
BRD4 O60885 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
LTA4H P09960 2/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7752657 0.88 PRSS1 (0.61) MAPT
Iodide SCHEMBL7752650 0.87 PRSS1 (0.59) MAPT
Hydrochloric Acid SCHEMBL7302913 0.87 PRSS1 (0.62) MAPT
SCHEMBL9042605 0.86 L3MBTL1 (0.59) MAPTSMN1; SMN2L3MBTL1BRD4CYSLTR2
SCHEMBL3811266 0.85 L3MBTL1 (0.59) MAPTSMN1; SMN2L3MBTL1BRD4CYSLTR2
SCHEMBL3267566 0.84 BRD4 (0.54) MAPTSMN1; SMN2L3MBTL1BRD4CYSLTR2
SCHEMBL6937314 0.84 MEN1 (0.62) MAPTSMN1; SMN2L3MBTL1BRD4CYSLTR2
SCHEMBL3814672 0.84 L3MBTL1 (0.63) MAPTSMN1; SMN2L3MBTL1BRD4CYSLTR2
Hydrochloric Acid SCHEMBL31742267 0.83 BRD4 (0.53) MAPTSMN1; SMN2L3MBTL1BRD4CYSLTR2
SCHEMBL6832520 0.83 PARP10 (0.61) PARP10MAPTSMN1; SMN2L3MBTL1SAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629094-A1 Optical biosensors CARNEGIE MELLON UNIVERSITY (US) 2013-08-21 EP disclosed
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