SCHEMBL28201517

SCHEMBL28201517

CCCCCCN(CC)C(=O)CN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA9 Q16790 4/20 0.47
CA2 P00918 2/20 0.44
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR2 P34972 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
DNM1 Q05193 2/20 0.38
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL4210960 0.92 CA12 (0.47) MGLLCA12CA1CA9CA2
SCHEMBL6386826 0.92 CA12 (0.47) MGLLCA12CA1CA9CA2
SCHEMBL31496780 0.92 CA12 (0.47) MGLLCA12CA1CA9CA2
SCHEMBL540900 0.92 CA12 (0.47) MGLLCA12CA1CA9CA2
SCHEMBL1557690 0.92 CA12 (0.47) MGLLCA12CA1CA9CA2
SCHEMBL14259804 0.83 MGLL (0.52) MGLLCA12CA1CA9CA2
SCHEMBL27497163 0.83 MGLL (0.52) MGLLCA12CA1CA9CA2
SCHEMBL10795632 0.83 MGLL (0.52) MGLLCA12CA1CA9CA2
SCHEMBL3423879 0.83 GPR84 (0.41) CA12CA1CA9CA2ZDHHC20
SCHEMBL4577559 0.83 CA12 (0.52) CA12CA1CA9CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109498543-A The composition of adjustable skin microecological balance and its application and comprising its milky lotion and milky lotion preparation method 广州市拓瑞科技有限公司 2019-03-22 CN disclosed
CN-107714537-A A kind of composition and the pack preparation containing said composition 无限极(中国)有限公司 2018-02-23 CN disclosed