SCHEMBL6676173

SCHEMBL6676173

O=C(CNCCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CYP2D6 P10635 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LTA4H P09960 2/20 0.47
BCHE P06276 1/20 0.46
MEN1 O00255 1/20 0.46

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
Hydrochloric Acid SCHEMBL6678335 0.98 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL7695939 0.88 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL2816305 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1CA1CA2
Hydrochloric Acid SCHEMBL8053510 0.86 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL31663467 0.86 ALDH1A1 (0.54) ALDH1A1CYP2D6SMN1; SMN2KMT2AMEN1
SCHEMBL7378770 0.85 CA1 (0.58) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL7415640 0.85 LTA4H (0.63) ALDH1A1CYP2D6LMNASMN1; SMN2KMT2A
SCHEMBL11622577 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL9293364 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL7416290 0.85 CA1 (0.55) ALDH1A1L3MBTL1MAPK1CA1CA2

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-0813544-B1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH INC (US) 2004-10-27 EP disclosed
US-6060462-A Electrophilic peptide analogs as inhibitors of trypsin-like enzymes DUPONT PHARMACEUTICALS COMPANY (US) 2000-05-09 US disclosed
EP-0724446-A4 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES DU PONT MERCK PHARMA (US) 1998-01-07 EP disclosed
EP-0813544-A4 1998-01-07 EP disclosed
EP-0813544-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1997-12-29 EP disclosed
US-5700779-A ALLEVIATING PAIN, ASTHMA, INFLAMMATION, CEREBRAL EDEMA, CARDIOVASCULAR DYSFUNCTION CORTECH, INC. (US) 1997-12-23 US disclosed
EP-0724446-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-07 EP disclosed
WO-1995024422-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1995-09-14 WO disclosed
WO-1995009634-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-13 WO disclosed