SCHEMBL20320698

SCHEMBL20320698

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SLC18A3 Q16572 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NLRP3 Q96P20 1/20 0.31
CYP19A1 P11511 2/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL20320464 0.88 HIF1A (0.38) KMT2ASMN1; SMN2LMNAALDH1A1GAA
SCHEMBL20320410 0.83 NPSR1 (0.38) NPSR1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL20320609 0.80 ALDH1A1 (0.32) NPSR1SMN1; SMN2LMNAALDH1A1GAA
SCHEMBL20320408 0.79 NPSR1 (0.34) NPSR1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL20320602 0.79 POLB (0.34) NPSR1GAA
SCHEMBL21610383 0.75 MGLL (0.32) LMNA
SCHEMBL21610445 0.68 ALOX5 (0.32) ALDH1A1
SCHEMBL27528499 0.68 HTT (0.44) NPSR1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL21610391 0.67
SCHEMBL21610406 0.67 ALDH1A1 (0.36) KMT2AMEN1LMNAALDH1A1GAA

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-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-2020002091-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