SCHEMBL6890035

SCHEMBL6890035

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 3/20 0.31
MAOA P21397 2/20 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
SCHEMBL6890040 1.00 ALOX5AP (0.33) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6887145 0.92 ALOX5AP (0.33) ALOX5APMAOBMAOAARCYP3A4
SCHEMBL6887141 0.92 ALOX5AP (0.33) ALOX5APMAOBMAOAARCYP3A4
SCHEMBL6564880 0.90 MAOB (0.32) MAPTMAOBMAOA
SCHEMBL6564886 0.90 MAOB (0.32) MAPTMAOBMAOA
SCHEMBL6888103 0.87 ALOX5AP (0.35) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6888099 0.87 ALOX5AP (0.35) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6886887 0.84 MRGPRX4 (0.32) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6886891 0.84 MRGPRX4 (0.32) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6565100 0.81 MAOB (0.32) MAPTMAOBMAOA

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