SCHEMBL3279974

SCHEMBL3279974

CCC(=O)c1cccc(CCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
BACE1 P56817 1/20 0.35
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6156231 0.90 MAOB (0.41) BACE1CYP4F2CYP4A11MRGPRX4
SCHEMBL12095859 0.85 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AHPGDNPC1MAPT
SCHEMBL3280115 0.85 VDR (0.41) VDRSMN1; SMN2BACE1CYP4F2CYP4A11
SCHEMBL3278878 0.84 VDR (0.46) VDRBACE1CYP4F2CYP4A11
SCHEMBL3278871 0.84 VDR (0.46) VDRBACE1CYP4F2CYP4A11
SCHEMBL3278876 0.84 VDR (0.46) VDRBACE1CYP4F2CYP4A11
SCHEMBL3279902 0.83 VDR (0.44) VDRBACE1CYP4F2CYP4A11
SCHEMBL3279899 0.83 VDR (0.44) VDRBACE1CYP4F2CYP4A11
SCHEMBL3279894 0.83 VDR (0.44) VDRBACE1CYP4F2CYP4A11
SCHEMBL3279418 0.82 VDR (0.46) VDRBACE1MTNR1AMTNR1B

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