SCHEMBL28630232

SCHEMBL28630232

C=C=C=CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ARG2 P78540 1/20 0.38
CALM1 P0DP23 1/20 0.36
IDO1 P14902 4/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL460253 0.81 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL29094387 0.76 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL20211960 0.74 MAOB (0.44) MAOBCA1CA2ARG2CALM1
SCHEMBL861788 0.73 MAOB (0.55) MAOBCA1CA2ARG2CALM1
SCHEMBL3042520 0.71 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL15282878 0.71 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL11349290 0.71 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL57808 0.71 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL28936724 0.71 MAOB (0.52) MAOBCA1CA2ARG2CALM1
SCHEMBL9617339 0.71 MAOB (0.52) MAOBCA1CA2ARG2CALM1

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-110105498-B Mono-silicon-hydrogen functionalized star polymer suitable for hydrosilylation chemical reaction and preparation method thereof 大连理工大学 2021-07-30 CN disclosed