SCHEMBL9818358

SCHEMBL9818358

CC[C@](N)(CSSCC(N)(N)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
NOS3 P29474 1/20 0.46
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31

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
SCHEMBL1662958 1.00 MEN1 (0.47) MEN1CYP1A2KMT2AALDH1A1THRB
Hydrochloric Acid SCHEMBL29492459 0.90 NOS1 (0.54) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL16950253 0.77 KIF11 (0.41) MEN1CYP1A2KMT2AALDH1A1THRB
Hydrochloric Acid SCHEMBL9639748 0.75 NOS2 (0.43) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL58260 0.75
Hydrochloric Acid SCHEMBL1133986 0.73 MEN1 (0.62) MEN1CYP1A2KMT2AALDH1A1THRB
Acetic Acid SCHEMBL103302 0.71 MEN1 (0.60) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL18370 0.70
SCHEMBL7567590 0.70 MEN1 (0.46) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL11055975 0.70 TSHR (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3143398-A None JP disclosed
JP-H03143398-A PRODUCTION OF EPSILON-POLY-L-LYSINE CHISSO CORP 1991-06-18 JP disclosed