SCHEMBL5470930

SCHEMBL5470930

CCCCN(CCCC)C(=O)CO.O=C1CCC(=O)N1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TACR1 P25103 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL542744 0.80 CA12 (0.54) SIGMAR1CA12CA1CA9MMP1
Pentane SCHEMBL28218834 0.76 FAAH (0.39) KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL9432852 0.74 CA12 (0.46) SIGMAR1CA12CA1CA9MMP1
Octane SCHEMBL28167668 0.74 MGLL (0.46) ALDH1A1SMN1; SMN2
SCHEMBL5543867 0.73 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL10352190 0.73 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL22907476 0.73 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL21629470 0.73 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL8002985 0.73 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL27339098 0.73 CA12 (0.48) CA12CA1CA9MMP1MMP2

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
US-7192451-B2 Fabric treatment UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2007-03-20 US disclosed
US-20060143834-A1 Fabric treatment Henkel IP & Holding GmbH (DE) 2006-07-06 US disclosed
EP-1567708-A1 FABRIC TREATMENT UNILEVER PLC (GB) 2005-08-31 EP disclosed
WO-2004050981-A1 FABRIC TREATMENT UNILEVER PLC (GB) 2004-06-17 WO disclosed