SCHEMBL13895348

SCHEMBL13895348

CCC(CCN(C)C)NC(=O)NC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
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
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
PKM P14618 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
UTS2R Q9UKP6 4/20 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
SCHEMBL18390895 0.84 ALDH1A1 (0.43) CA12CA1CA2MMP1MMP2
SCHEMBL11262354 0.81 UTS2R (0.36) CA12CA1CA2MMP1MMP2
SCHEMBL14533456 0.80
SCHEMBL8366815 0.80 TAS1R3 (0.44) CA12CA1CA2MMP1MMP2
SCHEMBL8367404 0.80 CA12 (0.48) CA12CA1CA2MMP1MMP2
SCHEMBL18390896 0.79 ALDH1A1 (0.38) CA12CA1CA2MMP1MMP2
SCHEMBL1065657 0.79 CA12 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL25099130 0.78 CNR2 (0.38) CA12CA1CA2MMP1MMP2
SCHEMBL25729370 0.77 CA2 (0.41) CA1CA2MMP1MMP2TAS1R3
SCHEMBL9541597 0.73 PRMT3 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed