SCHEMBL10657947

SCHEMBL10657947

C=CC(=O)CCCCCCCCCC(N)C(=O)C=C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
BLM P54132 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ARG2 P78540 4/20 0.32
ARG1 P05089 3/20 0.32
ENPEP Q07075 1/20 0.32
NOD1 Q9Y239 1/20 0.32
NOS2 P35228 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
SCHEMBL8669458 1.00 GSR (0.35) GSRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL10664837 0.92 TSHR (0.36) GSRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL6118792 0.85 GSR (0.44) GSRALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL28987308 0.85 GSR (0.53) GSRTSHRBLMNFKB1CYP2C19
SCHEMBL10663621 0.84 TSHR (0.39) GSRALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL29665718 0.82 ENPEP (0.50) GSRALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL4442128 0.80 GSR (0.57) GSRALDH1A1SLC6A2SLC6A3MEN1
SCHEMBL28989910 0.78 GRIK1 (0.49) GRIK1GRIK2MAPT
SCHEMBL28641757 0.78 GRIK1 (0.49) GRIK1GRIK2MAPT
SCHEMBL28989918 0.78 GRIK1 (0.49) GRIK1GRIK2MAPT

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-4785064-A URETHANE ACRYLATE AND POLYACRYLATE ESTER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-15 US disclosed
US-4650845-A SHRINKAGE-INHIBITED OPTICAL CASTINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-03-17 US disclosed
EP-0168226-A2 Ultra-violet light curable compositions for abrasion resistant articles MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-01-15 EP disclosed