SCHEMBL13891727

SCHEMBL13891727

Cc1cc2c(c(C(C)(C)C)c1)OC(=O)C2c1ccc(C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL39132 0.88 GABBR2 (0.38) GAAHTR2AHTR2CHTR2BALDH1A1
SCHEMBL29380744 0.88 GABBR2 (0.38) GAAHTR2AHTR2CHTR2BALDH1A1
SCHEMBL2612423 0.88 GAA (0.47) GAAALDH1A1CA2POLBTYR
SCHEMBL12456263 0.85 GAA (0.42) GAAHTR2AHTR2CHTR2BALDH1A1
SCHEMBL5083337 0.85 GAA (0.42) GAAHTR2AHTR2CHTR2BALDH1A1
SCHEMBL10135346 0.84 GAA (0.56) GAAHTR2BALDH1A1CA2POLB
SCHEMBL21931404 0.82 GABBR2 (0.36) GAASMN1; SMN2
SCHEMBL14644511 0.82 GAA (0.39) GAA
SCHEMBL9885965 0.81 POLB (0.35) GAAHTR2AHTR2CHTR2BALDH1A1
SCHEMBL25522686 0.81 ALDH1A1 (0.33) GAAALDH1A1CA2POLBTYR

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
WO-2024017825-A1 RECYCLED, THERMALLY STABLE POLYSTYRENE COMPOSITION AND PROCESS FOR PROVIDING SUPERIOR THERMAL STABILITY IN THE MECHANICAL RECYCLING OF POLYSTYRENE INEOS STYROLUTION GROUP GMBH (DE) 2024-01-25 WO disclosed
EP-1874853-B1 POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT CIBA HOLDING INC (CH) 2009-04-15 EP disclosed