SCHEMBL16366159

SCHEMBL16366159

Cc1ccc2c(c1-c1cccc3c1OCO3)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD1 P21728 2/20 0.42
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
NQO2 P16083 2/20 0.39
CYP19A1 P11511 1/20 0.38
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
PTGS2 P35354 2/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
RIPK3 Q9Y572 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GSK3B P49841 1/20 0.34
BAD Q92934 1/20 0.34

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
SCHEMBL29936424 0.86 NQO2 (0.42) DRD2DRD1PKMTSHRABCG2
SCHEMBL12446382 0.83 NQO2 (0.46) DRD2DRD1ABCG2NQO2CYP19A1
SCHEMBL25910897 0.83 CHEK1 (0.40) DRD2DRD1PKMTSHRABCG2
SCHEMBL17431881 0.80 DRD2 (0.42) DRD2DRD1PKMTSHRABCG2
SCHEMBL14950291 0.79 AOC3 (0.44) DRD2DRD1PKMTSHRABCG2
SCHEMBL7594061 0.79 ABCG2 (0.55) DRD2DRD1PKMTSHRABCG2
SCHEMBL12223372 0.79 DRD2 (0.40) DRD2DRD1PKMTSHRABCG2
SCHEMBL14929542 0.79 DRD2 (0.40) DRD2DRD1PKMTSHRABCG2
SCHEMBL12223409 0.79 KDM4E (0.44) DRD2DRD1NQO2CYP19A1GAA
SCHEMBL20040527 0.79 DRD2 (0.37) DRD2DRD1PKMTSHRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484842-B1 HALOGEN-CONTAINING METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2023-05-03 EP disclosed
WO-2020018581-A1 SYNTHESIS OF STRAIGHT-CHAIN LEPIDOPTERAN PHEROMONES THROUGH ONE- OR TWO- CARBON HOMOLOGATION OF FATTY ALKENES PROVIVI, INC. (US) 2020-01-23 WO disclosed
WO-2018013943-A1 HALOGEN-CONTAINING METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-18 WO disclosed
US-9850268-B2 Metathesis catalysts and methods thereof TRUSTEES OF BOSTON COLLEGE (US) 2017-12-26 US disclosed
US-9441059-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed
US-9085595-B2 Tungsten oxo alkylidene complexes for Z selective olefin metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-21 US disclosed
US-20140378637-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL SCIENCE FOUNDATION 2014-12-25 US disclosed