SCHEMBL20320667

SCHEMBL20320667

CC(=O)OC1C=C(Br)C(=O)N1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
POLB P06746 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20320507 0.83 ALOX5 (0.33) ALOX5POLBALDH1A1
SCHEMBL20320383 0.80 CA1 (0.36) ALOX5POLBCA1CA2MAPK1
SCHEMBL20320592 0.79 POLB (0.35) ALOX5POLBCA1CA2MAPK1
SCHEMBL21610440 0.76 POLB (0.33) ALOX5POLBCA1CA2
SCHEMBL20320440 0.76 POLB (0.33) ALOX5POLBCA1CA2ALDH1A1
SCHEMBL20320586 0.76 POLB (0.33) ALOX5POLBCA1CA2
SCHEMBL20320501 0.76 POLB (0.33) ALOX5POLBCA1CA2
SCHEMBL20320552 0.76 CYP2C9 (0.41) POLBCYP2C9CYP2C19ALDH1A1
SCHEMBL21610444 0.73 ALOX5 (0.35) ALOX5POLBCA1CA2
SCHEMBL21610432 0.72 POLB (0.31) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
WO-2020002083-A1 SUBSTITUTED HETEROCYCLIC PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed