SCHEMBL7033170

SCHEMBL7033170

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.52
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
CCR5 P51681 1/20 0.43
EPHX1 P07099 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CTSK P43235 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL1799143 1.00 ENPP2 (0.52) ENPP2SIGMAR1ALDH1A1TSHRL3MBTL1
SCHEMBL5981283 1.00 ENPP2 (0.52) ENPP2SIGMAR1ALDH1A1TSHRL3MBTL1
SCHEMBL7382258 0.93 ALDH1A1 (0.46) ENPP2SIGMAR1ALDH1A1TSHRL3MBTL1
SCHEMBL5123960 0.93 ALDH1A1 (0.52) ENPP2SIGMAR1ALDH1A1TSHRCCR5
SCHEMBL27652104 0.93 ALDH1A1 (0.52) ENPP2SIGMAR1ALDH1A1TSHRCCR5
SCHEMBL5122891 0.93 ALDH1A1 (0.52) ENPP2SIGMAR1ALDH1A1TSHRCCR5
SCHEMBL7275332 0.91 ENPP2 (0.49) ENPP2SIGMAR1ALDH1A1TSHRL3MBTL1
SCHEMBL7275912 0.86 ENPP2 (0.42) ENPP2SIGMAR1ALDH1A1TSHRL3MBTL1
SCHEMBL15649454 0.86 ENPP2 (0.44) ENPP2SIGMAR1ALDH1A1TSHRTRPM8
SCHEMBL15648931 0.86 ENPP2 (0.47) ENPP2SIGMAR1ALDH1A1TSHRTRPM8

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-0929571-B1 4-SUBSTITUTED-3-(2-AMINO-2-CYCLOALKYL METHYL)-ACETAMIDO AZETIDIN-2-ONE DERIVATIVES AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2003-02-26 EP disclosed
EP-0929571-A1 4-SUBSTITUTED-3-(2-AMINO-2-CYCLOALKYL METHYL)-ACETAMIDO AZETIDIN-2-ONE DERIVATIVES AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-07-21 EP disclosed
US-5916887-A TREATMENT OF ARTHRITIS, INFLAMMATION, ALZHEIMER'S DISEASE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1999-06-29 US disclosed
WO-1998012210-A1 4-SUBSTITUTED-3-(2-AMINO-2-CYCLOALKYL METHYL)-ACETAMIDO AZETIDIN-2-ONE DERIVATIVES AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed