SCHEMBL6918937

SCHEMBL6918937

Cc1cc(=O)oc2cc(NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA9 Q16790 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 6/20 0.50
HPGD P15428 5/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAPT P10636 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
SCHEMBL29543708 1.00 CA12 (0.52) CA12CA1CA9TDP1KDM4E
Hydrochloric Acid SCHEMBL29692722 0.99 CA12 (0.51) CA12CA1CA9TDP1KDM4E
SCHEMBL29355291 0.92 CA12 (0.58) CA12CA1CA9TDP1KDM4E
SCHEMBL7203173 0.92 CA12 (0.58) CA12CA1CA9TDP1KDM4E
SCHEMBL29543976 0.92 CA12 (0.58) CA12CA1CA9TDP1KDM4E
SCHEMBL5664318 0.92 CA12 (0.58) CA12CA1CA9TDP1KDM4E
SCHEMBL7205674 0.90 CA12 (0.52) CA12CA1CA9TDP1KDM4E
SCHEMBL7205667 0.90 CA12 (0.52) CA12CA1CA9TDP1KDM4E
SCHEMBL7211984 0.90 KDM4E (0.52) CA12CA1CA9TDP1KDM4E
SCHEMBL7211986 0.90 KDM4E (0.52) CA12CA1CA9TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014054980-A1 NA-ACYL DERIVATIVES OF AMINOACYL-2-CYANOPYRROLIDINE-INHIBITORS OF PROLYL ENDOPEPTIDASE AND DIPEPTIDYL PEPTIDASE-IV, HAVING HYPOGLYCEMIC, ANTIHYPOXIC, NEUROPROTECTIVE ACTION AND ACTION OF COGNITIVE FUNCTION IMPROVEMENT DAPHOT ENTERPRAISES LIMITED (CY) 2014-04-10 WO disclosed
EP-0475160-B2 Preparation for drug application in minute droplet form IDEA AG (DE) 2004-07-14 EP disclosed
EP-0475160-B1 Preparation for drug application in minute droplet form IDEA AG (DE) 1996-02-14 EP disclosed
EP-0475160-A1 Preparation for drug application in minute droplet form Cevc, Gregor, Prof. Dr. (DE) 1992-03-18 EP disclosed
WO-1992003122-A1 PREPARATION FOR APPLICATION OF ACTIVE SUBSTANCES IN THE FORM OF MINIMUM-SIZED DROPLETS CEVC GREGOR (DE) 1992-03-05 WO disclosed