SCHEMBL7635372

SCHEMBL7635372

Cc1ncc2sc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cn12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.34
PTGS1 P23219 2/20 0.34
ESR1 P03372 1/20 0.34
PDE4A P27815 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCC2 Q92887 1/20 0.30

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
SCHEMBL7631792 0.88 CACNA1C (0.35) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7633272 0.88 CACNA1C (0.35) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7628875 0.87 ESR1 (0.33) CACNA1CPTGS1ESR1PDE4A
SCHEMBL6889653 0.87 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL6889748 0.87 CACNA1C (0.35) CACNA1CPTGS1ESR1PDE4A
SCHEMBL6891529 0.86 ESR1 (0.33) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL8194895 0.84 FAP (0.47)
SCHEMBL7630405 0.83 CACNA1C (0.33) CACNA1CPTGS1ESR1PDE4A
SCHEMBL7633495 0.83 CACNA1C (0.33) CACNA1CPTGS1ESR1PDE4A
SCHEMBL7634446 0.82 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218033-A2 CATIONIC LIPID COMPOUNDS AND USE THEREOF FOR TRANSFERRING NEGATIVELY CHARGED SUBSTANCES OF THERAPEUTIC INTEREST UNIVERSITE PARIS-NORD (FR) 2002-07-03 EP claimed
WO-2001011068-A2 CATIONIC LIPID COMPOUNDS AND USE THEREOF FOR TRANSFERRING NEGATIVELY CHARGED SUBSTANCES OF THERAPEUTIC INTEREST UNIVERSITE PARIS NORD (FR) 2001-02-15 WO claimed
EP-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 EP disclosed
EP-1218033-A2 CATIONIC LIPID COMPOUNDS AND USE THEREOF FOR TRANSFERRING NEGATIVELY CHARGED SUBSTANCES OF THERAPEUTIC INTEREST UNIVERSITE PARIS-NORD (FR) 2002-07-03 EP disclosed
US-6310056-B1 2-SUBSTITUTED WITH A IMIDAZO(5,1-B)THIAZOLE GROUP; TREATING INFECTIONS, INCLUDING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MEIJI SEIKA KAISHA, LTD. (JP) 2001-10-30 US disclosed
WO-2001011068-A2 CATIONIC LIPID COMPOUNDS AND USE THEREOF FOR TRANSFERRING NEGATIVELY CHARGED SUBSTANCES OF THERAPEUTIC INTEREST UNIVERSITE PARIS NORD (FR) 2001-02-15 WO disclosed
EP-1022279-A1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2000-07-26 EP disclosed