SCHEMBL7129808

SCHEMBL7129808

CC(C)NC(=O)C(C)CN(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 1/20 0.31
DPP4 P27487 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
SCHEMBL7781829 0.89 ALDH1A1 (0.34) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL27721767 0.81
SCHEMBL24723658 0.79 CHRNB2 (0.34) TSHRALDH1A1GAA
SCHEMBL15314139 0.79 CHRNB2 (0.34) TSHRALDH1A1GAA
SCHEMBL21155321 0.78 MEN1 (0.33) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL24348966 0.76 CHRNB2 (0.38) KMT2ASMN1; SMN2MMP1MMP2MMP9
SCHEMBL24271906 0.76 CHRNB2 (0.38) KMT2ASMN1; SMN2MMP1MMP2MMP9
SCHEMBL24851498 0.74 BLM (0.39) MEN1KMT2ACA12CA1CA2
SCHEMBL10031629 0.73 ALDH1A1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL13876693 0.73 ALDH1A1 (0.42) MEN1KMT2ACA12CA1CA2

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
US-6506939-B1 Producing N-substituted acrylamides and tertiary amines CIBA SPECIALTY CHEMICALS WATER TREATMENTS LTD. (GB) 2003-01-14 US disclosed
EP-1140797-A1 PRODUCTION OF ACRYLIC MONOMERS Ciba Specialty Chemicals Water Treatments Limited (GB) 2001-10-10 EP disclosed
WO-2000041996-A1 PRODUCTION OF ACRYLIC MONOMERS CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2000-07-20 WO disclosed