SCHEMBL30120748

SCHEMBL30120748

NCC[C@H](N)C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
MMP8 P22894 2/20 0.51
EGFR P00533 2/20 0.50
SRC P12931 1/20 0.50
SLC1A1 P43005 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3583374 1.00 MMP2 (0.56) MMP2CYP1A2CYP2D6CYP2C9TSHR
Hydrochloric Acid SCHEMBL28736783 0.98 MMP2 (0.55) MMP2CYP1A2CYP2D6CYP2C9TSHR
Trifluoroacetic Acid SCHEMBL3587833 0.91 MMP2 (0.52) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL9275540 0.90 MMP2 (0.64) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL8526418 0.90 MMP2 (0.64) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3907033 0.89 MMP2 (0.71) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL8691002 0.89 MMP2 (0.71) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL5555507 0.87 SLC1A1 (0.57) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL18952189 0.87 SPHK1 (0.62) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL29968173 0.87 TPSAB1 (0.56) MMP2CYP1A2CYP2D6CYP2C9TSHR

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-113301910-B Skin rejuvenation and healing mixtures of peptide components and uses thereof 环球科技创新有限股份公司 2023-02-03 CN disclosed