SCHEMBL21358489

SCHEMBL21358489

C=CC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@]1(COCc1ccccc1)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.38
ELANE P08246 5/20 0.38
F2 P00734 2/20 0.38
CTSG P08311 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TACR1 P25103 1/20 0.37
KLK7 P49862 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
YAP1 P46937 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 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
SCHEMBL21360032 0.89 ELANE (0.41) ELANEF2CTSGHTTNPC1
SCHEMBL21360159 0.80 ELANE (0.46) ELANEF2CTSGHTTNPC1
SCHEMBL21359919 0.76 ELANE (0.44) ELANEF2CTSGNPSR1HTT
SCHEMBL31367146 0.76 ELANE (0.44) ELANEF2CTSGNPSR1HTT
SCHEMBL31367138 0.75 ELANE (0.48) ELANEF2CTSGNPSR1HTT
SCHEMBL21367010 0.75 EPHX1 (0.33) ELANECTSGKDM4EPKM
SCHEMBL11953973 0.74 TACR1 (0.45) STSTACR1KLK7HTTYAP1
SCHEMBL15924523 0.72
SCHEMBL19627474 0.72
SCHEMBL19627470 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765006-A1 ARGINASE INHIBITORS AND METHODS OF USE Merck Sharp&Dohme Corp. (US) 2021-01-20 EP disclosed
WO-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 WO disclosed