SCHEMBL9683525

SCHEMBL9683525

CCC(CC)(C(=N)N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
CYP2C19 P33261 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
FFAR3 O14843 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL3084173 0.81 NOS1 (0.36) CYP1A2ALDH1A1CYP2C19NOS3NOS1
Acetamide SCHEMBL2283407 0.79 ALOX15 (0.44) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL8604881 0.79 KMT2A (0.38) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL51201 0.78 FFAR3 (0.41) MEN1CYP1A2KMT2AALDH1A1THRB
Hydrochloric Acid SCHEMBL11512818 0.77 MEN1 (0.37) MEN1CYP1A2KMT2AALDH1A1THRB
Hydrochloric Acid SCHEMBL4402723 0.77 MEN1 (0.37) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL9489101 0.75 FFAR3 (0.39) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL17818653 0.75 FFAR3 (0.39) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL104624 0.75 FFAR3 (0.39) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL3673385 0.75 ALDH1A1 (0.39) MEN1CYP1A2KMT2AALDH1A1THRB

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
EP-0485290-A1 Antioxydant and/or anticorrosive agents for use as additives in lubricating compositions, especially for turbines NYCO S.A. (FR) 1992-05-13 EP disclosed