SCHEMBL20320501

SCHEMBL20320501

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALOX5 P09917 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
SCHEMBL20320664 0.85 POLB (0.33) POLB
SCHEMBL20320600 0.84 CYP1A2 (0.30)
SCHEMBL20320438 0.83
SCHEMBL20320457 0.83 ELANE (0.31)
SCHEMBL20320437 0.81 CHRM2 (0.31) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21610428 0.79 ALDH1A1 (0.32)
SCHEMBL20320383 0.77 CA1 (0.36) POLBCA1CA2CHRM2CHRM4
SCHEMBL20320667 0.76 ALOX5 (0.38) POLBCA1CA2ALOX5
SCHEMBL20320592 0.76 POLB (0.35) POLBCA1CA2ALOX5
SCHEMBL21610440 0.73 POLB (0.33) POLBCA1CA2ALOX5

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-2020002090-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-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed