SCHEMBL14950692

SCHEMBL14950692

CC[C@@H](OC(CO)c1ccccc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.45
GSR P00390 1/20 0.44
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
SLC7A5 Q01650 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
AOC3 Q16853 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
SCHEMBL13843585 0.82 TRPA1 (0.47) TRPA1GSRLMNABLMMEN1
SCHEMBL14945485 0.82 TRPA1 (0.47) TRPA1GSRLMNABLMMEN1
SCHEMBL14935978 0.80 GSR (0.50) TRPA1GSRLMNABLMTAAR1
SCHEMBL14935912 0.80 GSR (0.50) TRPA1GSRLMNABLMTAAR1
SCHEMBL16398170 0.80 GSR (0.50) TRPA1GSRLMNABLMTAAR1
SCHEMBL4426985 0.79 GSR (0.57) TRPA1GSRLMNABLMTAAR1
SCHEMBL8602813 0.78 GSR (0.49) TRPA1GSRLMNABLMTAAR1
SCHEMBL22891053 0.76 GSR (0.44) TRPA1GSRLMNABLMGPR88
SCHEMBL7417686 0.74 GSR (0.49) TRPA1GSRLMNABLMKMT2A
SCHEMBL5902915 0.74 GSR (0.52) TRPA1GSRLMNABLMTAAR1

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
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed