SCHEMBL11344853

SCHEMBL11344853

CCNC(=O)C(CC)(CC)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
KMT2A Q03164 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MCL1 Q07820 1/20 0.31
FAAH O00519 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL291784 0.77 MMP1 (0.33) MMP1MMP2MMP3MMP9MMP8
SCHEMBL3240918 0.74 MMP8 (0.34) MMP1MMP2MMP3MMP9MMP8
SCHEMBL18907822 0.74 MMP8 (0.34) MMP1MMP2MMP3MMP9MMP8
SCHEMBL28850438 0.73 SLC15A1 (0.32)
SCHEMBL15824082 0.72 TSHR (0.32)
SCHEMBL2303259 0.70 ALDH1A1 (0.33) KMT2ACYP2D6CYP2C19
SCHEMBL14004131 0.70 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL27855150 0.70
SCHEMBL17814159 0.69 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP8
SCHEMBL1241898 0.69 ALOX15 (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4296255-A USEFUL IN TOILETRIES WILKINSON SWORD LIMITED (GB) 1981-10-20 US disclosed
US-4230688-A FOODS, TOILETRIES WILKINSON SWORD LIMITED (GB) 1980-10-28 US disclosed
US-4153679-A IN TOILETRIES, FOODS, BEVERAGES AND TOBACCO PRODUCTS WILKINSON SWORD LIMITED (GB) 1979-05-08 US disclosed