SCHEMBL7035636

SCHEMBL7035636

COC(=O)C1=CCC(=O)C=C1.[Na]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
THRB P10828 1/20 0.36
CHRM1 P11229 1/20 0.36
CA12 O43570 7/20 0.35
CA1 P00915 7/20 0.35
CA2 P00918 7/20 0.35
CA9 Q16790 7/20 0.35
CA14 Q9ULX7 7/20 0.35
CA7 P43166 6/20 0.35
BLM P54132 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
XDH P47989 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL48012 0.98 LMNA (0.37) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL11229915 0.79 NFKB1 (0.39) CA12CA1CA2CA9CA14
SCHEMBL1682242 0.79 CA12 (0.43) LMNACA12CA1CA2CA9
SCHEMBL3205528 0.79 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL47924 0.78 CA12 (0.42) LMNACA12CA1CA2CA9
SCHEMBL3110549 0.77 SERPINE1 (0.37) TDP1TSHR
SCHEMBL28926409 0.77 CHRM3 (0.33) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL8417905 0.77 TSHR (0.35) LMNACHRM3CHRM2CHRM4CHRM5
SCHEMBL8187265 0.76 LMNA (0.44) LMNACA1CA2KDM4ETDP1
SCHEMBL47935 0.75 ALDH1A1 (0.43) LMNACHRM1KDM4ETDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468677-B1 An antireflux syrup DMG ITALIA SRL (IT) 2012-08-08 EP disclosed
EP-1468677-A2 An antireflux syrup D.M.G. Italia Srl (IT) 2004-10-20 EP disclosed