SCHEMBL28834261

SCHEMBL28834261

CCCCNC(=O)NN(CCC)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.48
ACHE P22303 7/20 0.40
MMP2 P08253 2/20 0.39
MMP1 P03956 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL320112 0.72 EPHX1 (0.85) EPHX1ACHEMMP2MMP1
SCHEMBL1838870 0.71 KDM5A (0.34) EPHX1EPHX2
SCHEMBL30786047 0.70 EPHX1 (0.90) EPHX1ACHEMMP2MMP1EPHX2
SCHEMBL11186206 0.70 EPHX1 (0.59) EPHX1ACHEMMP2MMP1HDAC1
SCHEMBL28295709 0.69 CA1 (0.35) MMP2MMP1
SCHEMBL9561921 0.69 HSP90AA1 (0.48)
SCHEMBL6935602 0.69
SCHEMBL15224160 0.68 EPHX1 (0.63) EPHX1ACHEMMP2MMP1EPHX2
SCHEMBL20972405 0.68 EPHX1 (0.63) EPHX1ACHEMMP2MMP1
SCHEMBL42513 0.68

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-108430442-B Method for treating keratin fibres comprising the application of a composition comprising urea or a derivative thereof, a polyol and an aminosilicone 欧莱雅 2022-08-09 CN disclosed