SCHEMBL11794635

SCHEMBL11794635

C=CC(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)CCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
THRB P10828 2/20 0.41
GAA P10253 3/20 0.40
GPR55 Q9Y2T6 1/20 0.39
VCAM1 P19320 7/20 0.39
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
KMT2A Q03164 2/20 0.36
NR1I2 O75469 1/20 0.36
HMGCR P04035 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ATM Q13315 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL11805701 0.96 THRB (0.44) CA1CA2THRBGAAGPR55
SCHEMBL11797744 0.89 CA1 (0.44) CA1CA2THRBGAAGPR55
SCHEMBL11797716 0.88 THRB (0.46) CA1CA2THRBGAAGPR55
SCHEMBL7168327 0.87 CA2 (0.53) CA1CA2GAAGPR55VCAM1
SCHEMBL11800496 0.83 CA1 (0.41) CA1CA2GAAGPR55VCAM1
SCHEMBL27944627 0.82 CA1 (0.45) CA1CA2THRBGAAGPR55
SCHEMBL11801640 0.81 MEN1 (0.37) CA1CA2GAAGPR55VCAM1
SCHEMBL11801650 0.81 MEN1 (0.37) CA1CA2GAAGPR55VCAM1
SCHEMBL11794653 0.80 THRB (0.39) CA1CA2THRBGAAGPR55
SCHEMBL11803935 0.80 HCAR2 (0.38) CA1CA2GPR55VCAM1GABBR2

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-3953402-A COPOLYMER OF A P-HYDROXYPHENYL ACRYLATE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-27 US disclosed