SCHEMBL20320608

SCHEMBL20320608

CCC1=CC(OC(=O)C2CC2)N(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
ALDH1A1 P00352 5/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HSD17B10 Q99714 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL20320334 0.80 CHRM2 (0.33) HTTALDH1A1CHRM2CHRM4CHRM1
SCHEMBL20320376 0.78 POLB (0.34) NPSR1POLBGAA
SCHEMBL20320706 0.78 ALDH1A1 (0.33) ALDH1A1NPSR1SMN1; SMN2LMNAKMT2A
SCHEMBL20320665 0.77 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL20320437 0.77 CHRM2 (0.31) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL20320669 0.75 KLK7 (0.32)
SCHEMBL21610388 0.74
SCHEMBL20320428 0.68 ALDH1A1 (0.34) HTTALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL21610444 0.67 ALOX5 (0.35) POLB
SCHEMBL20320442 0.67

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