SCHEMBL7757991

SCHEMBL7757991

CC(C)(C)[Si](C)(C)Oc1c(F)cc([Mg]Br)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 0.30
APLNR P35414 2/20 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
SCHEMBL23190502 0.81 ALOX5AP (0.38) ALOX5APFEN1CA12CA1CA9
SCHEMBL5981001 0.79 MAPT (0.42) ALOX5APFEN1CA12CA1CA9
SCHEMBL6142235 0.78 CA12 (0.31) ALOX5APFEN1CA12CA1CA9
SCHEMBL14270115 0.77 ALOX5AP (0.34) ALOX5APFEN1
SCHEMBL6938316 0.73 ALOX5AP (0.41) ALOX5APFEN1CA12CA1CA9
SCHEMBL4184604 0.72 TUBB1 (0.36)
SCHEMBL8454482 0.72 APLNR (0.39) ALOX5APFEN1CA12CA1CA9
SCHEMBL15729329 0.71 ALOX5AP (0.35) ALOX5APFEN1CA12CA1CA9
SCHEMBL8452608 0.71 MAPT (0.37) ALOX5APFEN1APLNR
SCHEMBL2557768 0.70 ALOX5AP (0.35) ALOX5APFEN1

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-0711777-B1 Cyclohexanone compounds, a process for preparing the cyclohexanone compounds, and a process for preparing silacyclohexane-based compounds from the cyclohexanone compounds SHINETSU CHEMICAL CO (JP) 2001-04-04 EP disclosed
EP-0711777-A1 Cyclohexanone compounds, a process for preparing the cyclohexanone compounds, and a process for preparing silacyclohexane-based compounds from the cyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-05-15 EP disclosed