SCHEMBL28577949

SCHEMBL28577949

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
CYP1A2 P05177 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 1/20 0.65
THRB P10828 1/20 0.65
ARG2 P78540 11/20 0.55
ARG1 P05089 10/20 0.55
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
ODC1 P11926 1/20 0.38
GGT1 P19440 1/20 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
SCHEMBL8240842 1.00 MEN1 (0.65) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL8168356 0.85 ARG1 (0.63) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL14689695 0.85 ARG1 (0.65) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL24163861 0.83 MEN1 (0.68) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL6759254 0.83 MEN1 (0.68) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL6759253 0.83 MEN1 (0.68) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL58260 0.82
SCHEMBL5324175 0.81 MEN1 (0.65) MEN1CYP1A2KMT2AALDH1A1THRB
Hydrochloric Acid SCHEMBL21239451 0.81 MEN1 (0.65) MEN1CYP1A2KMT2AALDH1A1THRB
Hydrochloric Acid SCHEMBL21239452 0.81 MEN1 (0.65) 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
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