SCHEMBL6680503

SCHEMBL6680503

CC(C)(C)OC(=O)N(CC(=O)O)C1CCCCC1.CC(C)(C)OC(=O)N(CC(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HSD11B1 P28845 1/20 0.39
CCR5 P51681 1/20 0.39
CTSL P07711 1/20 0.39
AGER Q15109 3/20 0.38
TSHR P16473 1/20 0.38
MTNR1A P48039 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
SCHEMBL6681828 0.99 ENPP2 (0.43) ENPP2L3MBTL1PTGDR2SIGMAR1HTR2C
SCHEMBL8893633 0.97 L3MBTL1 (0.45) ENPP2L3MBTL1PTGDR2SIGMAR1HTR2C
SCHEMBL6687688 0.96 L3MBTL1 (0.43) ENPP2L3MBTL1PTGDR2SIGMAR1HTR2C
SCHEMBL6675898 0.88 ALDH1A1 (0.43) ENPP2L3MBTL1HTR2CSLC6A4HSD11B1
SCHEMBL5727402 0.86 CCR5 (0.41) L3MBTL1SLC6A4HSD11B1CCR5
SCHEMBL18154489 0.86 L3MBTL1 (0.41) L3MBTL1SIGMAR1HSD11B1CCR5
SCHEMBL18163696 0.85 CCR5 (0.47) L3MBTL1SIGMAR1HSD11B1CCR5
SCHEMBL18154352 0.84 HSD11B1 (0.48) HSD11B1CCR5
SCHEMBL22285161 0.84 ENPP2 (0.57) ENPP2L3MBTL1PTGDR2SIGMAR1CCR5
SCHEMBL190556 0.84 ENPP2 (0.57) ENPP2L3MBTL1PTGDR2SIGMAR1CCR5

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