SCHEMBL2641364

SCHEMBL2641364

C=C(NC)C(=O)NCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
EPHX1 P07099 4/20 0.39
MCL1 Q07820 1/20 0.38
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
PAOX Q6QHF9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL6850994 0.78 NPC1 (0.47) MMP1MMP2MMP3MMP9EPHX1
Dimethylamine SCHEMBL42843 0.77 MMP1 (0.40) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL6858080 0.77 MMP1 (0.52) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL3333901 0.77 MMP1 (0.36) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL149370 0.76
SCHEMBL2935709 0.76
Dimethylamine SCHEMBL8509082 0.76 MMP1 (0.39) MMP1MMP2MMP3MMP9EPHX1
Dimethylamine SCHEMBL10790993 0.76 MMP1 (0.39) MMP1MMP2MMP3MMP9EPHX1
Dimethylamine SCHEMBL8511788 0.76 MMP1 (0.39) MMP1MMP2MMP3MMP9EPHX1
Dimethylamine SCHEMBL8512417 0.76 MMP1 (0.39) MMP1MMP2MMP3MMP9EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4183449-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2023-05-24 EP disclosed
EP-2569407-A1 FABRIC AND HOME CARE PRODUCT COMPRISING CARE POLYMERS The Procter and Gamble Company (US) 2013-03-20 EP disclosed
WO-2011143322-A1 FABRIC AND HOME CARE PRODUCT COMPRISING CARE POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2011-11-17 WO disclosed