SCHEMBL9701123

SCHEMBL9701123

CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(Cl)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)CC2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL4099581 0.90 ELANE (0.33) GABBR2GABBR1
SCHEMBL29418936 0.83 GABBR2 (0.36) GABBR2GABBR1
SCHEMBL7651052 0.83 GABBR2 (0.36) GABBR2GABBR1
SCHEMBL9699981 0.81 GABBR2 (0.38) GABBR2GABBR1
SCHEMBL31461622 0.80 GABBR2 (0.34) GABBR2GABBR1
SCHEMBL29814463 0.79 GABBR2 (0.35) GABBR2GABBR1
SCHEMBL9004175 0.75 GABBR2 (0.33) GABBR2GABBR1
SCHEMBL24882702 0.75 ELANE (0.34) GABBR2GABBR1
SCHEMBL9131242 0.75 POLB (0.34)
SCHEMBL9278611 0.73 ELANE (0.36) GABBR2GABBR1

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-5128066-A For polymers ETHYL CORPORATION (US) 1992-07-07 US disclosed