SCHEMBL6886887

SCHEMBL6886887

CC/C(=C\CCC(CC)(CC)O[Si](CC)(CC)CC)c1cncc(COc2ccc(C(=O)OC)c(C(=O)OC)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 2/20 0.32
SIRT3 Q9NTG7 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALOX5AP P20292 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL6886891 1.00 MRGPRX4 (0.32) MRGPRX4MEN1NPC1MAPTRAB9A
SCHEMBL6564879 0.90 MRGPRX4 (0.34) MRGPRX4MAPTSMN1; SMN2CYP4F2CYP4A11
SCHEMBL6564885 0.90 MRGPRX4 (0.34) MRGPRX4MAPTSMN1; SMN2CYP4F2CYP4A11
SCHEMBL6886943 0.87 NPC1 (0.35) MRGPRX4MEN1NPC1MAPTRAB9A
SCHEMBL6886939 0.87 NPC1 (0.35) MRGPRX4MEN1NPC1MAPTRAB9A
SCHEMBL6890040 0.84 ALOX5AP (0.33) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL6890035 0.84 ALOX5AP (0.33) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL6886767 0.80 ALOX5AP (0.40) MRGPRX4ALOX5AP
SCHEMBL6886768 0.80 ALOX5AP (0.40) MRGPRX4ALOX5AP
SCHEMBL6887141 0.78 ALOX5AP (0.33) ALOX5APMAOAMAOB

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