SCHEMBL11041713

SCHEMBL11041713

COc1ccc(C(COS(C)(=O)=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.49
APLNR P35414 2/20 0.44
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
CA9 Q16790 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
Alcohol SCHEMBL11041710 0.94 AOC3 (0.44) AOC3APLNRCA1CA2ACHE
SCHEMBL11044429 0.85 CA1 (0.36) AOC3CA1CA2ACHEPKM
SCHEMBL7255603 0.83 HTR2C (0.36) CA1CA2PKMCA9CYP1A2
SCHEMBL7255599 0.83 HTR2C (0.36) CA1CA2PKMCA9CYP1A2
SCHEMBL16874789 0.83 APLNR (0.46) APLNRCA1CA2ACHEPOLB
SCHEMBL7255600 0.83 HTR2C (0.36) CA1CA2PKMCA9CYP1A2
SCHEMBL2543561 0.80 AOC3 (0.50) AOC3APLNRCA1CA2ACHE
SCHEMBL11040629 0.80 APLNR (0.44) APLNRCA1CA2ACHEPOLB
SCHEMBL2539306 0.80 AOC3 (0.50) AOC3APLNRCA1CA2ACHE
Alcohol SCHEMBL11044424 0.80 FFAR1 (0.33) AOC3CA1CA2ACHEPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4490165-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof AMERICAN CYANAMID COMPANY (US) 1984-12-25 US disclosed
US-4308213-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds AMERICAN CYANAMID COMPANY (US) 1981-12-29 US disclosed