SCHEMBL11296642

SCHEMBL11296642

CCC=CC(=O)NCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
ZDHHC20 Q5W0Z9 3/20 0.39
ZDHHC2 Q9UIJ5 2/20 0.39
EPHX1 P07099 1/20 0.39
PELI1 Q96FA3 2/20 0.38
EGFR P00533 1/20 0.38
MCL1 Q07820 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CNR1 P21554 4/20 0.37
CNR2 P34972 3/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4406724 0.88 CNR1 (0.45) ALDH1A1LMNASMN1; SMN2TAS1R3TAS1R1
SCHEMBL9111857 0.87 ZDHHC20 (0.50) ALDH1A1MMP2ZDHHC20ZDHHC2EPHX1
SCHEMBL19261723 0.87 ZDHHC20 (0.50) ALDH1A1MMP2ZDHHC20ZDHHC2EPHX1
SCHEMBL2536904 0.85 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2MMP1MMP2
SCHEMBL1700849 0.85 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2MMP1MMP2
SCHEMBL28083743 0.85 ZDHHC20 (0.58) ZDHHC20ZDHHC2EPHX1EGFR
SCHEMBL14813333 0.84 CNR1 (0.49) ALDH1A1CNR1CNR2MAPT
SCHEMBL14813332 0.84 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2ZDHHC20ZDHHC2
SCHEMBL22109092 0.84 CNR1 (0.49) ALDH1A1CNR1CNR2MAPT
SCHEMBL14813331 0.84 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2ZDHHC20ZDHHC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847498-A tetra-substituted olefin compound and use thereof 卫材R&D管理有限公司 2018-03-27 CN disclosed
EP-2697193-A1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS Bayer Intellectual Property GmbH (DE) 2014-02-19 EP disclosed
WO-2012139890-A1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
EP-0024682-B1 PROCESS FOR THE PREPARATION OF N-PROPYL-N-PROPYLIDENE ACETAMIDE OR DI-N-PROPYL ACETAMIDE Consortium für elektrochemische Industrie GmbH (DE) 1982-12-22 EP disclosed
EP-0024682-A1 Process for the preparation of n-propyl-n-propylidene acetamide or di-n-propyl acetamide Consortium für elektrochemische Industrie GmbH (DE) 1981-03-11 EP disclosed