SCHEMBL28237281

SCHEMBL28237281

NCCCNCCCCNCCCNCC=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.48
CA12 O43570 2/20 0.42
F13A1 P00488 2/20 0.42
CA2 P00918 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
THPO P40225 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP2 P42575 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29176161 0.93 PRMT1 (0.50) PRMT1RAB9A
SCHEMBL11032133 0.93 PRMT1 (0.50) PRMT1RAB9A
SCHEMBL30694747 0.92 PRMT1 (0.49) PRMT1RAB9A
SCHEMBL28520466 0.92 PRMT1 (0.49) PRMT1RAB9A
SCHEMBL28725423 0.88 PRMT1 (0.54) PRMT1MAOBRAB9A
SCHEMBL4948645 0.88 PRMT1 (0.54) PRMT1MAOBRAB9A
SCHEMBL9440460 0.81 GRIA1 (0.39) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL11031807 0.81 HDAC3 (0.45) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL11597360 0.80 PRMT1 (0.55) PRMT1MAOBRAB9A
SCHEMBL11597357 0.80 PRMT1 (0.55) PRMT1MAOBRAB9A

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-108348894-A Ozonolysis for compound activation and ozonolysis 空气交叉股份有限公司 2018-07-31 CN disclosed