SCHEMBL6886943

SCHEMBL6886943

CCC(=CCCC(O)(CC)CC)c1cncc(COc2ccc(C(=O)OC)c(C(=O)OC)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALOX5AP P20292 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
MAPK1 P28482 2/20 0.32
MAOB P27338 2/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL6886939 1.00 NPC1 (0.35) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6562874 0.89 CYP4F2 (0.34) RAB9ASMN1; SMN2MRGPRX4CYP4F2CYP4A11
SCHEMBL6562882 0.89 CYP4F2 (0.34) RAB9ASMN1; SMN2MRGPRX4CYP4F2CYP4A11
SCHEMBL6881304 0.87 MRGPRX4 (0.46) NPC1MAPTRAB9ASMN1; SMN2MRGPRX4
SCHEMBL6881311 0.87 MRGPRX4 (0.46) NPC1MAPTRAB9ASMN1; SMN2MRGPRX4
SCHEMBL6886887 0.87 MRGPRX4 (0.32) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6886891 0.87 MRGPRX4 (0.32) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6888099 0.83 ALOX5AP (0.35) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6888103 0.83 ALOX5AP (0.35) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL6563996 0.81 VDR (0.44) CYP4F2CYP4A11MAOB

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