SCHEMBL5568606

SCHEMBL5568606

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccc(OCc3ccccc3)cc2C[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
BCL2 P10415 1/20 0.44
AGTR2 P50052 1/20 0.42
ACE P12821 3/20 0.42
PTPN1 P18031 2/20 0.42
MME P08473 1/20 0.42
YAP1 P46937 1/20 0.42
PPARA Q07869 1/20 0.41
GHSR Q92847 1/20 0.41

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
SCHEMBL5563160 1.00 HDAC8 (0.44) HDAC8BCL2AGTR2ACEPTPN1
2,2,2-Trifluoroethanaminium SCHEMBL8254767 0.94 GHSR (0.42) HDAC8BCL2AGTR2ACEPTPN1
SCHEMBL5563821 0.89 KDM4E (0.49) HDAC8GHSR
SCHEMBL5563142 0.89 GHSR (0.43) HDAC8BCL2PTPN1YAP1GHSR
SCHEMBL5568646 0.87 HDAC8 (0.42) HDAC8PPARA
SCHEMBL5566971 0.87 HDAC8 (0.42) HDAC8PPARA
SCHEMBL5568361 0.85 ACE (0.40) ACE
SCHEMBL5563792 0.85 SCN9A (0.37) ACE
SCHEMBL5568442 0.85 SCN9A (0.37) ACE
SCHEMBL5568446 0.85 ACE (0.42) ACE

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