SCHEMBL20320663

SCHEMBL20320663

CCC(=O)OC1C=C(c2ccccc2)C(=O)N1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33

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
SCHEMBL20320662 0.84 GAA (0.40) KDM4EMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL20320436 0.82 SLC6A3 (0.39) KDM4ELMNAMAPTSMN1; SMN2RECQL
SCHEMBL21610429 0.77 BACE1 (0.40) KDM4ELMNAMAPTGAAMEN1
SCHEMBL20320691 0.76 ALDH1A1 (0.35) KDM4ELMNAGAAALDH1A1CYP1A2
SCHEMBL20320560 0.75 ALDH1A1 (0.34) KDM4EGAAALDH1A1CYP1A2CHRM2
SCHEMBL20320444 0.72 CHRM2 (0.35) KDM4EGAAALDH1A1CYP1A2KMT2A
SCHEMBL20320687 0.72 CHRM2 (0.33) KDM4EGAAALDH1A1CYP1A2CHRM2
SCHEMBL20320614 0.71 MAOA (0.37) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL20320610 0.70 MAPT (0.38) KDM4EOPRM1OPRD1OPRK1LMNA
Biphenyl SCHEMBL11806686 0.63 SMN1; SMN2 (0.53) KDM4ELMNAMAPTSMN1; SMN2L3MBTL1

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