SCHEMBL6887141

SCHEMBL6887141

CCC(CC)(CC/C=C(\C)c1cc(COc2ccc(C(=O)OC)c(C(=O)OC)c2)cs1)O[Si](CC)(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
MAOB P27338 3/20 0.31
MAOA P21397 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
AR P10275 1/20 0.30
CYP3A4 P08684 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6887145 1.00 ALOX5AP (0.33) ALOX5APMAOBMAOATDP1AR
SCHEMBL6890035 0.92 ALOX5AP (0.33) ALOX5APMAOBMAOAARCYP3A4
SCHEMBL6890040 0.92 ALOX5AP (0.33) ALOX5APMAOBMAOAARCYP3A4
SCHEMBL6565090 0.90 MAOB (0.32) MAOBMAOA
SCHEMBL6565100 0.90 MAOB (0.32) MAOBMAOA
SCHEMBL6883924 0.86 ALOX5AP (0.34) ALOX5APMAOBMAOATDP1AR
SCHEMBL6883929 0.86 ALOX5AP (0.34) ALOX5APMAOBMAOATDP1AR
SCHEMBL6883874 0.86 MRGPRX4 (0.34) ALOX5APTDP1
SCHEMBL6883872 0.86 MRGPRX4 (0.34) ALOX5APTDP1
SCHEMBL6883569 0.85 ALOX5AP (0.32) ALOX5APTDP1

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-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed