SCHEMBL11269387

SCHEMBL11269387

COC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
CA5A P35218 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PSMD14 O00487 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALPL P05186 2/20 0.36
ALPI P09923 1/20 0.36
KDM4E B2RXH2 5/20 0.35
GAA P10253 1/20 0.35
NQO1 P15559 2/20 0.35
POR P16435 2/20 0.35
LMNA P02545 4/20 0.34
HTT P42858 1/20 0.34
PLIN1 O60240 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
SCHEMBL11269026 0.89 CA2 (0.39) CA2CA5AHPGDALDH1A1MAPT
SCHEMBL11669010 0.88 CA2 (0.36) CA2NQO1PORCA12
SCHEMBL11264724 0.86 ALPI (0.38) CA2ALPLALPINQO1POR
SCHEMBL11257436 0.85 ALDH1A1 (0.39) CA2CA5AHPGDALDH1A1ALPL
Ethofumesate SCHEMBL5475440 0.85 CA2 (0.37) CA2CA5AHPGDALDH1A1MAPT
SCHEMBL11570343 0.85 RAB9A (0.39) CA2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11271884 0.85 CA2 (0.37) CA2CA5AHPGDALDH1A1MAPT
Ethofumesate SCHEMBL8536662 0.85 CA2 (0.37) CA2CA5AHPGDALDH1A1MAPT
Ethofumesate SCHEMBL55264 0.85 CA2 (0.37) CA2CA5AHPGDALDH1A1MAPT
Ethofumesate SCHEMBL29355311 0.85 CA2 (0.37) CA2CA5AHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4345932-A BENZOFURANYL ESTERS FISONS LIMITED (GB) 1982-08-24 US claimed
US-RE47666-E1 Herbicidal compositions BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-29 US disclosed
US-4345932-A BENZOFURANYL ESTERS FISONS LIMITED (GB) 1982-08-24 US disclosed
US-4157255-A 2-AMINO-BENZOFURAN-2-YL METHANE SULFONATE FISONS LIMITED (GB) 1979-06-05 US disclosed
US-4120871-A HERBICIDES, PLANT GROWTH REGULATORS FISONS LIMITED (GB) 1978-10-17 US disclosed
US-4091033-A Method of making 2-alkoxy-2,3-dihydro-benzofuran-5-ols and their alkyl sulfonic acid esters FISONS LIMITED (EN) 1978-05-23 US disclosed