SCHEMBL22338578

SCHEMBL22338578

O=C(O)[C@@]1(CCCCCB(O)O)CCCCN1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ARG2 P78540 19/20 0.88
ARG1 P05089 19/20 0.88

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
SCHEMBL22338400 0.98 ARG2 (0.91) ARG2ARG1
SCHEMBL21285674 0.94 ARG2 (1.00) ARG2ARG1
SCHEMBL893861 0.94 ARG2 (1.00) ARG2ARG1
Hydrochloric Acid SCHEMBL894870 0.92 ARG2 (0.97) ARG2ARG1
SCHEMBL30169846 0.80 ARG1 (0.60) ARG2ARG1
SCHEMBL7094527 0.80 ARG2 (0.60) ARG2ARG1
SCHEMBL31042217 0.78 ARG1 (0.59) ARG2ARG1
SCHEMBL31042199 0.78 ARG1 (0.59) ARG2ARG1
SCHEMBL31042202 0.78 ARG1 (0.59) ARG2ARG1
SCHEMBL31042229 0.78 ARG1 (0.59) ARG2ARG1

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-2020161675-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2020-08-13 WO disclosed