SCHEMBL6681828

SCHEMBL6681828

CC(C)(C)OC(=O)N(CC(=O)O)C1CCCC1.CC(C)(C)OC(=O)N(CC(=O)OCc1ccccc1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
HSD11B1 P28845 1/20 0.39
CCR5 P51681 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6680503 0.99 ENPP2 (0.45) ENPP2PTGDR2L3MBTL1SIGMAR1HSD11B1
SCHEMBL6687688 0.97 L3MBTL1 (0.43) ENPP2PTGDR2L3MBTL1SIGMAR1HSD11B1
SCHEMBL8893633 0.95 L3MBTL1 (0.45) ENPP2PTGDR2L3MBTL1SIGMAR1HSD11B1
SCHEMBL6675898 0.87 ALDH1A1 (0.43) ENPP2L3MBTL1HSD11B1ALDH1A1HTR2C
SCHEMBL5727402 0.87 CCR5 (0.41) L3MBTL1HSD11B1CCR5SLC6A4
SCHEMBL18154489 0.87 L3MBTL1 (0.41) L3MBTL1SIGMAR1HSD11B1CCR5ALDH1A1
SCHEMBL18163696 0.86 CCR5 (0.47) L3MBTL1SIGMAR1HSD11B1CCR5
SCHEMBL18154352 0.85 HSD11B1 (0.48) HSD11B1CCR5KMT2A
SCHEMBL18154101 0.84 KLK7 (0.42) L3MBTL1HSD11B1CCR5ALDH1A1MAPK1
SCHEMBL18163678 0.84 HSD11B1 (0.50) HSD11B1KMT2A

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 4 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
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
WO-1995024422-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1995-09-14 WO disclosed