SCHEMBL6888099

SCHEMBL6888099

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAOB P27338 7/20 0.32
PTPN1 P18031 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
MAOA P21397 5/20 0.31
APP P05067 1/20 0.31
AR P10275 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
SCHEMBL6888103 1.00 ALOX5AP (0.35) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6883924 0.90 ALOX5AP (0.34) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6883929 0.90 ALOX5AP (0.34) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6563956 0.89 MAOB (0.35) MAPTMAOBMAOAAPP
SCHEMBL6563960 0.89 MAOB (0.35) MAPTMAOBMAOAAPP
SCHEMBL6890040 0.87 ALOX5AP (0.33) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6890035 0.87 ALOX5AP (0.33) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6886939 0.83 NPC1 (0.35) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6886943 0.83 NPC1 (0.35) ALOX5APMEN1NPC1MAPTRAB9A
SCHEMBL6881304 0.83 MRGPRX4 (0.46) NPC1MAPTRAB9ASMN1; SMN2MAOB

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