SCHEMBL28295549

SCHEMBL28295549

C=C(NCCC)NCCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
EPHX1 P07099 4/20 0.39
PAOX Q6QHF9 1/20 0.37
MCL1 Q07820 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4C Q9H3R0 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL12018908 0.91
SCHEMBL25118497 0.89 EPHX1 (0.48) MMP2EPHX1PAOXKMT2A
SCHEMBL14194603 0.85
SCHEMBL20052940 0.83 QPCT (0.45) EPHX1PAOXKMT2ACYP1A2CYP2C9
SCHEMBL15100638 0.79 MMP1 (0.32) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL22916890 0.79 EPHX1 (0.39) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL8227247 0.78
SCHEMBL14369480 0.78
SCHEMBL18374555 0.77 MMP1 (0.31) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL15080522 0.75

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-109689928-A Compositions for carbon-doped silicon-containing films and methods of using the same 弗萨姆材料美国有限责任公司 2019-04-26 CN disclosed