SCHEMBL28936724

SCHEMBL28936724

O[C]=CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ARG2 P78540 1/20 0.45
TSHR P16473 1/20 0.42
IDO1 P14902 4/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
TOP1 P11387 1/20 0.41
CALM1 P0DP23 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL861788 0.77 MAOB (0.55) MAOBCA1CA2ARG2TSHR
SCHEMBL29094387 0.75 MAOB (0.52) MAOBCA1CA2ARG2TSHR
SCHEMBL9617339 0.75 MAOB (0.52) MAOBCA1CA2ARG2TSHR
SCHEMBL3042523 0.75 MAOB (0.52) MAOBCA1CA2ARG2TSHR
SCHEMBL15282878 0.75 MAOB (0.52) MAOBCA1CA2ARG2TSHR
SCHEMBL57808 0.75 MAOB (0.52) MAOBCA1CA2ARG2TSHR
SCHEMBL460253 0.75 MAOB (0.52) MAOBCA1CA2ARG2TSHR
SCHEMBL3042520 0.75 MAOB (0.52) MAOBCA1CA2ARG2TSHR
SCHEMBL11349290 0.75 MAOB (0.52) MAOBCA1CA2ARG2TSHR
SCHEMBL2241623 0.73 MAOB (0.50) MAOBCA1CA2ARG2TSHR

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-111482278-B Copper oxide ore flotation method 广东省资源综合利用研究所 2022-03-22 CN disclosed