SCHEMBL5563339

SCHEMBL5563339

CCCCNC(=O)[C@H]1Cc2cc(O)ccc2N1C(=O)[C@H](CC)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC1 Q13547 1/20 0.42
CXCR3 P49682 6/20 0.40
CTSK P43235 3/20 0.39

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
SCHEMBL7042312 0.92 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7044418 0.92 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5563179 0.88 KDM4E (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5563821 0.86 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5568361 0.86 ACE (0.40) CTSK
SCHEMBL7650981 0.84 KDM4E (0.45) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5563311 0.84 KDM4E (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6240391 0.81 KDM4E (0.76) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5569373 0.81 KDM4E (0.76) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Oxalic Acid SCHEMBL7043112 0.79 KDM4E (0.72) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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-1042288-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS INST NAT SANTE RECH MED (FR) 2007-11-07 EP disclosed
US-6335360-B1 INDOLINE-2-CARBOXYLIC AMIDE DERIVATIVES; OBESITY, EATING AND PSYCHOLOGICAL DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-01-01 US disclosed
EP-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 EP disclosed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 WO disclosed