SCHEMBL6866414

SCHEMBL6866414

CCC[CH]C(=O)NCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
EPHX1 P07099 3/20 0.40
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
PAOX Q6QHF9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL6863656 0.86 ZDHHC20 (0.52) MMP2ZDHHC20ZDHHC2EPHX1CNR1
SCHEMBL497830 0.86 ZDHHC20 (0.47) MMP1MMP2MMP3MMP9ZDHHC20
SCHEMBL6445314 0.86 CNR1 (0.41) ZDHHC20ZDHHC2ALDH1A1CNR1
SCHEMBL6864354 0.83
SCHEMBL497631 0.83
SCHEMBL28179342 0.83 ZDHHC20 (0.63) ZDHHC20ZDHHC2EPHX1
SCHEMBL9505930 0.81 SLC6A5 (0.44) ZDHHC20ZDHHC2EPHX1PAOX
SCHEMBL4897225 0.81
SCHEMBL9508487 0.80 PAOX (0.50) ZDHHC20ZDHHC2EPHX1PAOX
SCHEMBL9943892 0.77 TAS1R3 (0.53) MMP1MMP2MMP3MMP9ZDHHC20

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034326-B1 CHIRAL POLYSILOXANES, PROCESS FOR THEIR PREPARATION AND THEIR USE Bayer, Ernst, Prof. Dr. (DE) 1984-07-25 EP claimed
US-4387206-A CHROMATOGRAPHY BAYER ERNST (DE) 1983-06-07 US claimed
US-6797699-B1 EXEMPLIFIED BY N'-L-ARGINYLSPERMIDINE UNIVERSITY OF SOUTHAMPTON (GB) 2004-09-28 US disclosed
EP-1040096-B1 NEUROPROTECTIVE AGENTS UNIV SOUTHAMPTON (GB) 2003-07-09 EP disclosed
US-5877321-A NEUROKININ RECEPTOR SANOFI (FR) 1999-03-02 US disclosed
US-5773620-A Quaternary ammonium salts of aromatic amine compounds, their preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-30 US disclosed
US-5770735-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-23 US disclosed
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed
US-5686609-A Aromatic amine compounds, Their method of preparation and pharmaceutical compositions in which they are present SANOFI (FR) 1997-11-11 US disclosed
US-5679693-A TREATMENT OF PATHOLOGICAL CONDITIONS INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1997-10-21 US disclosed
US-5674881-A NEUROKININ RECEPTOR ANTAGONISTS ELF SANOFI (FR) 1997-10-07 US disclosed
US-5317020-A Neurokinin receiver antagonist as antiinflammatory agents SANOFI (FR) 1994-05-31 US disclosed
US-5300648-A Analgesics, antiinflammatory agents SOCIETE ANONYME: ELF SANOFI (FR) 1994-04-05 US disclosed
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
US-5236921-A Administrering for treatment of neutrogenic inflammation of the respiratory trart SANOFI (FR) 1993-08-17 US disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed
EP-0034326-B1 CHIRAL POLYSILOXANES, PROCESS FOR THEIR PREPARATION AND THEIR USE Bayer, Ernst, Prof. Dr. (DE) 1984-07-25 EP disclosed