SCHEMBL8977513

SCHEMBL8977513

Cc1ccc(C[C@H](N)C(=O)OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.41
ACACB O00763 1/20 0.39
DPP4 P27487 3/20 0.39
FAP Q12884 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
KIF11 P52732 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
PTPN1 P18031 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL7164479 0.89 SLC7A5 (0.41) SLC7A5ACACBDPP4DPP8DPP9
SCHEMBL17978114 0.88 SLC7A5 (0.45) SLC7A5ACACBDPP4FAPDPP8
SCHEMBL17978113 0.88 SLC7A5 (0.45) SLC7A5ACACBDPP4FAPDPP8
SCHEMBL10952481 0.87 ACACB (0.44) SLC7A5ACACBDPP4FAPDPP8
SCHEMBL11387995 0.87 SLC7A5 (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7317870 0.86 SLC6A4 (0.50) SLC7A5ACACBDPP4FAPDPP8
SCHEMBL8143842 0.86 SLC6A4 (0.50) SLC7A5ACACBDPP4FAPDPP8
SCHEMBL29111947 0.86 ELANE (0.50) SLC7A5ACACBPPARGPPARAPTPN1
SCHEMBL11067134 0.86 ACACB (0.49) SLC7A5ACACBPPARGPPARAPTPN1
SCHEMBL16415824 0.85 CTSK (0.47) SLC7A5ACACBDPP4PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486596-A CYCLIC PEPTIDES CESKOSLOVENSKA AKADEMIE VED (CS) 1996-01-23 US disclosed
EP-0412508-B1 Analogues of vasopressin, their preparation and pharmaceutical use CESKOSLOVENSKA AKADEMIE VED (CS) 1995-07-05 EP disclosed
EP-0412508-A1 Analogues of vasopressin, their preparation and pharmaceutical use CESKOSLOVENSKA AKADEMIE VED (CS) 1991-02-13 EP disclosed