SCHEMBL20156725

SCHEMBL20156725

CCCCCC(N)(CCC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARG2 P78540 9/20 0.52
ARG1 P05089 8/20 0.52
FDPS P14324 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
SMPD1 P17405 2/20 0.44
ODC1 P11926 1/20 0.44

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
SCHEMBL3450922 0.98 ARG2 (0.50) ARG2ARG1FDPSMEN1ALDH1A1
SCHEMBL31678259 0.98 ARG2 (0.50) ARG2ARG1FDPSMEN1ALDH1A1
SCHEMBL7087301 0.96 ARG2 (0.55) ARG2ARG1FDPSMEN1ALDH1A1
SCHEMBL6129347 0.93 ARG2 (0.53) ARG2ARG1FDPSMEN1ALDH1A1
SCHEMBL14088071 0.93 ARG2 (0.53) ARG2ARG1FDPSMEN1ALDH1A1
SCHEMBL23010905 0.93 ARG1 (0.48) ARG2ARG1FDPSMEN1ALDH1A1
SCHEMBL3024369 0.93 ARG2 (0.53) ARG2ARG1FDPSMEN1ALDH1A1
SCHEMBL21219814 0.93 ARG2 (0.53) ARG2ARG1FDPSMEN1ALDH1A1
SCHEMBL8719171 0.93 ARG2 (0.53) ARG2ARG1FDPSMEN1ALDH1A1
SCHEMBL11421459 0.93 ARG2 (0.53) ARG2ARG1FDPSMEN1ALDH1A1

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-2018089490-A1 ARGINASE INHIBITOR COMBINATION THERAPIES CALITHERA BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed