SCHEMBL21367036

SCHEMBL21367036

C=CC[C@@H]1CCN(C(=O)OCc2ccccc2)C1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.54
F2 P00734 3/20 0.54
CTSG P08311 2/20 0.54
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FKBP1A P62942 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PREP P48147 1/20 0.44
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL21358337 1.00 ELANE (0.54) ELANEF2CTSGNPC1RAB9A
SCHEMBL21360115 1.00 ELANE (0.54) ELANEF2CTSGNPC1RAB9A
SCHEMBL31367113 1.00 ELANE (0.54) ELANEF2CTSGNPC1RAB9A
SCHEMBL30591216 0.87 ELANE (0.52) ELANEF2CTSGNPC1RAB9A
SCHEMBL17428773 0.87 ELANE (0.52) ELANEF2CTSGNPC1RAB9A
SCHEMBL30591356 0.86 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2FKBP1ANPSR1
SCHEMBL30591394 0.86 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2FKBP1ANPSR1
SCHEMBL30591324 0.85 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2FKBP1ANPSR1
SCHEMBL8284648 0.85 FKBP1A (0.48) ELANENPC1RAB9ASMN1; SMN2FKBP1A
SCHEMBL23270785 0.83 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2FKBP1ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 WO disclosed