SCHEMBL7606209

SCHEMBL7606209

CCC(O)CCc1cccc(-c2cccc(CCc3ccc(CO)c(CO)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.42
MMP12 P39900 4/20 0.35
MMP13 P45452 4/20 0.35
PRKCI P41743 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
STAT3 P40763 1/20 0.35
FFAR1 O14842 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR1A P08908 1/20 0.32
PTGS2 P35354 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
BCL2 P10415 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB2 P07550 1/20 0.32
MTNR1A P48039 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
SCHEMBL27509030 0.81 MMP12 (0.47) MMP12MMP13MMP2MMP9MMP14
SCHEMBL7606366 0.80 VDR (0.44) VDRMMP12MMP13FFAR1
SCHEMBL7606206 0.80 VDR (0.38) VDRPRKCIFFAR1PTGS2ACMSD
SCHEMBL7606371 0.78 FFAR1 (0.47) VDRFFAR1
SCHEMBL5950528 0.77 STAT3 (0.43) STAT3HTR1ANPC1RAB9AKMT2A
SCHEMBL7615205 0.77 VDR (0.52) VDRSTAT3HTR1AADRB2
SCHEMBL7608507 0.77 VDR (0.34) VDRSTAT3FFAR1
SCHEMBL7610505 0.76 VDR (0.43) VDRFFAR1CD274
SCHEMBL7604645 0.75 VDR (0.42) VDRFFAR1
SCHEMBL6564902 0.75 VDR (0.55) VDRPRKCIFFAR1ACMSDBCL2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP claimed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO claimed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed