SCHEMBL9014691

SCHEMBL9014691

C[Si](C)(C)C#Cc1ccc2c(c1)CC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GRM5 P41594 3/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
PNMT P11086 1/20 0.34
GABRA6 Q16445 2/20 0.32
GABRA4 P48169 1/20 0.32
PLAU P00749 1/20 0.31
BACE1 P56817 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
SCHEMBL7085122 0.92 GRM5 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2888952 0.83 GRM5 (0.33) GRM5DRD2DRD3PNMT
SCHEMBL4517248 0.83 PIK3CD (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6849836 0.82 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7085730 0.79 GRM5 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23501054 0.77 CA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4523627 0.77 CYP1A2 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6650236 0.77 BACE1 (0.35) BACE1
SCHEMBL9024457 0.77 BRAF (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9024485 0.77 ALDH2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416233-A Preparation of vinylsilane-benzocyclobutenes THE DOW CHEMICAL COMPANY (US) 1995-05-16 US claimed
US-4724260-A Unsaturated alkyl monoarylcyclobutane monomers THE DOW CHEMICAL COMPANY (US) 1988-02-09 US claimed
US-5567835-A Preparation of a vinylsiloxane-benzocylobutene from a hydrolyzable vinylsilane-benzocylobutene THE DOW CHEMICAL COMPANY (US) 1996-10-22 US disclosed
US-5416233-A Preparation of vinylsilane-benzocyclobutenes THE DOW CHEMICAL COMPANY (US) 1995-05-16 US disclosed
US-4783514-A Polymeric monoarylcyclobutane compositions THE DOW CHEMICAL COMPANY (US) 1988-11-08 US disclosed
US-4724260-A Unsaturated alkyl monoarylcyclobutane monomers THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed