SCHEMBL13071040

SCHEMBL13071040

Cc1ccc2c(c1)C(C)(C)c1ccc(C(C)C)cc1O2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
HPGD P15428 1/20 0.30
GFER P55789 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2756772 0.94 HTR2A (0.33) HTR2AHTR2CLMNATRPA1PTGS1
SCHEMBL2707193 0.91 HSD17B10 (0.33) LMNATRPA1PTGS1CACNA1CHPGD
SCHEMBL2756742 0.85 MAPT (0.34) HTR2AHTR2CLMNAHSD17B10
SCHEMBL18542710 0.84 LMNA (0.36) LMNATRPA1PTGS1CACNA1CHPGD
SCHEMBL6509446 0.82 MAPT (0.38) HTR2AHTR2CLMNAHSD17B10
SCHEMBL13070864 0.81 TSHR (0.33)
SCHEMBL15855088 0.80 PDK2 (0.41) LMNATRPA1PTGS1CACNA1CHPGD
SCHEMBL17656226 0.78 TSHR (0.33)
SCHEMBL7521829 0.78 LMNA (0.36) HTR2AHTR2CLMNATRPA1HPGD
SCHEMBL9188443 0.77 GAA (0.38) LMNAHPGD

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-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed