SCHEMBL20320428

SCHEMBL20320428

CCC1=CC(=O)N(C)C1OC(=O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.33
TSHR P16473 2/20 0.33
GRM1 Q13255 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.83 HIF1A (0.38) ALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL20320370 0.81 ALDH1A1 (0.35) ALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL20320579 0.80 CHRM4 (0.34) ALDH1A1GAATSHRALOX15HSD17B10
SCHEMBL20320609 0.79 ALDH1A1 (0.32) ALDH1A1GAAHTTSMN1; SMN2NPSR1
SCHEMBL20320602 0.78 POLB (0.34) GAANPSR1
SCHEMBL20320434 0.78 ALDH1A1 (0.37) ALDH1A1GAAMAPTHTTSMN1; SMN2
SCHEMBL20320375 0.77 GAA (0.32) ALDH1A1GAATSHRALOX15HSD17B10
SCHEMBL21610383 0.74 MGLL (0.32) TSHR
SCHEMBL20320608 0.68 HTT (0.32) ALDH1A1GAATSHRALOX15HSD17B10
SCHEMBL21610445 0.67 ALOX5 (0.32) ALDH1A1

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