SCHEMBL20320706

SCHEMBL20320706

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SLC18A3 Q16572 1/20 0.32
NLRP3 Q96P20 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20320684 0.83 ALDH1A1 (0.34) ALDH1A1SLC18A3NLRP3NPSR1MEN1
SCHEMBL20320668 0.79 ALDH1A1 (0.32) ALDH1A1SLC18A3
SCHEMBL20320660 0.79 ALDH1A1 (0.32) ALDH1A1SLC18A3
SCHEMBL20320376 0.79 POLB (0.34) NPSR1
SCHEMBL20320691 0.70 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL20320687 0.67 CHRM2 (0.33) ALDH1A1
SCHEMBL20320444 0.67 CHRM2 (0.35) ALDH1A1KMT2A
SCHEMBL20320698 0.67 NPSR1 (0.35) ALDH1A1SLC18A3NLRP3NPSR1MEN1
SCHEMBL27528499 0.65 HTT (0.44) ALDH1A1NPSR1MEN1LMNAMAPT
SCHEMBL20320410 0.65 NPSR1 (0.38) ALDH1A1SLC18A3NLRP3NPSR1MEN1

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