SCHEMBL3280099

SCHEMBL3280099

CCC(=O)c1cccc(CCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.53
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6157330 0.86 VDR (0.50) VDRCYP4F2CYP4A11
SCHEMBL19090371 0.81 SMN1; SMN2 (0.50) CYP4F2CYP4A11SMN1; SMN2RAB9ANPC1
SCHEMBL6671053 0.81 PRSS1 (0.52) CYP4F2CYP4A11SMN1; SMN2RAB9ANPC1
SCHEMBL13819738 0.79 KAT6A (0.50) CYP4F2CYP4A11SMN1; SMN2RAB9ANPC1
SCHEMBL15450372 0.79 ALDH1A1 (0.50) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL6756665 0.78 VDR (0.47) VDR
SCHEMBL3283557 0.77 LTB4R (0.41) CYP4F2CYP4A11SMN1; SMN2RAB9ANPC1
SCHEMBL12221840 0.76 CYP4F2 (0.51) CYP4F2CYP4A11SMN1; SMN2PPARG
SCHEMBL28781815 0.76 CYP4F2 (0.45) CYP4F2CYP4A11SMN1; SMN2RAB9ANPC1
SCHEMBL28268128 0.76 CYP4F2 (0.45) CYP4F2CYP4A11SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed