SCHEMBL27458499

SCHEMBL27458499

CC(O)CCCCCCCC(N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.59
NOS2 P35228 6/20 0.55
ARG2 P78540 4/20 0.53
ARG1 P05089 3/20 0.53
NOS1 P29475 4/20 0.52
NOS3 P29474 3/20 0.52
CYP1A2 P05177 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
BLM P54132 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.50
PMP22 Q01453 1/20 0.50
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
GLA P06280 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL25660446 0.93 GSR (0.56) GSRNOS2ARG2ARG1NOS1
SCHEMBL31348916 0.86 GSR (0.76) GSRNOS2ARG2ARG1NOS1
SCHEMBL8894128 0.86 GSR (0.76) GSRNOS2ARG2ARG1NOS1
SCHEMBL8893420 0.86 GSR (0.76) GSRNOS2ARG2ARG1NOS1
SCHEMBL4848672 0.86 GSR (0.76) GSRNOS2ARG2ARG1NOS1
SCHEMBL9829771 0.86 GSR (0.76) GSRNOS2ARG2ARG1NOS1
SCHEMBL6741106 0.86 GSR (0.76) GSRNOS2ARG2ARG1NOS1
SCHEMBL5743303 0.84 GSR (0.61) GSRNOS2ARG2ARG1NOS1
SCHEMBL5653470 0.84 GSR (0.61) GSRNOS2ARG2ARG1NOS1
SCHEMBL25660589 0.84 GSR (0.61) GSRNOS2ARG2ARG1NOS1

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
CN-1122600-A Inhibitors of second messenger cell signaling CELL THERAPEUTICS INC (US) 1996-05-15 CN disclosed