SCHEMBL28407141

SCHEMBL28407141

CC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Hf]

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 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
SCHEMBL27506824 0.79 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL8506274 0.79 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL5860017 0.79 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL5583459 0.78 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL9421533 0.78 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL7195945 0.78 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL27463390 0.78 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL4622636 0.78 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL16415244 0.78 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Iodide SCHEMBL27462016 0.78 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5

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
CN-110845546-A Substituted metallocene catalysts 埃克森美孚化学专利公司 2020-02-28 CN disclosed