SCHEMBL9015736

SCHEMBL9015736

CC(C)(C)c1c(O)c(C(C)(C)C)c2c(C(=O)O)c1OO2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
CYP1A2 P05177 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
SCHEMBL9015593 0.77 CYP2C9 (0.33)
SCHEMBL11372087 0.74 GLRA3 (0.47) GLRA3GLRB
SCHEMBL19193287 0.73 GLRA3 (0.56) GLRA3GLRB
SCHEMBL9108516 0.72 GLRA3 (0.45) GLRA3GLRB
SCHEMBL9015742 0.72
SCHEMBL7065132 0.71 GLRA3 (0.46) GLRA3GLRBCYP1A2
SCHEMBL14989129 0.71 GLRA3 (0.46) GLRA3GLRBCYP1A2
SCHEMBL19194000 0.71 GLRA3 (0.48) GLRA3GLRB
SCHEMBL19193905 0.70 GLRA3 (0.52) GLRA3GLRB
SCHEMBL28337231 0.69 GLRA3 (0.44) GLRA3GLRBCYP1A2

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
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed