SCHEMBL8661829

SCHEMBL8661829

C[Si](C)(C)CCOC(=O)CCc1cccc(Br)c1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
IAPP P10997 4/20 0.39
ALOX5 P09917 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
APP P05067 2/20 0.34

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
SCHEMBL8661032 0.76 NQO2 (0.38) CDYLCYP4F2CYP4A11KDM4E
SCHEMBL29237462 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27522264 0.72 FFAR1 (0.48) IAPP
SCHEMBL14793053 0.71 ALOX5 (0.44) CYP4F2CYP4A11IAPPALOX5ALDH1A1
SCHEMBL9297678 0.70 IAPP (0.51) CDYLCYP4F2CYP4A11IAPPALOX5
SCHEMBL5598810 0.70 IAPP (0.51) CDYLCYP4F2CYP4A11IAPPALOX5
SCHEMBL18371229 0.69 CYP4F2 (0.60) CDYLCYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL18501464 0.68 IAPP (0.56) IAPPALOX5ALDH1A1
SCHEMBL1511313 0.68 CYP4F2 (0.69) CDYLCYP4F2CYP4A11ALOX5TDP1
SCHEMBL28405859 0.68 TDP1 (0.51) CYP4F2CYP4A11ALOX5TDP1ALDH1A1

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-5760251-A Taxol process and compounds SEPRACOR, INC. (US) 1998-06-02 US disclosed