SCHEMBL28577951

SCHEMBL28577951

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.40
ARG2 P78540 2/20 0.40
CYP1A2 P05177 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
ODC1 P11926 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GRM2 Q14416 2/20 0.34

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
SCHEMBL16116350 0.83 ARG1 (0.50) ARG1ARG2CYP1A2MEN1KMT2A
SCHEMBL2129918 0.83 ARG1 (0.50) ARG1ARG2CYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL27976606 0.81 ARG1 (0.48) ARG1ARG2CYP1A2MEN1KMT2A
SCHEMBL22009377 0.81 ARG1 (0.40) ARG1ARG2CYP1A2ALDH1A1ODC1
SCHEMBL22009572 0.81 ARG1 (0.40) ARG1ARG2CYP1A2ALDH1A1ODC1
SCHEMBL4483059 0.81 GRM2 (0.31) CYP1A2MEN1KMT2AALDH1A1THRB
SCHEMBL5319944 0.81 ARG1 (0.40) ARG1ARG2CYP1A2MEN1KMT2A
SCHEMBL22009103 0.79 ARG1 (0.39) ARG1ARG2CYP1A2MEN1KMT2A
SCHEMBL22009123 0.79 ARG1 (0.39) ARG1ARG2CYP1A2MEN1KMT2A
SCHEMBL28547233 0.77 ODC1 (0.47) ARG1ARG2CYP1A2MEN1KMT2A

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-108785200-B Antibacterial, acne-removing and anti-wrinkle silver ion moisturizing mask liquid, mask and preparation method of mask 安徽省银锂子生物科技发展有限公司 2021-05-25 CN disclosed