SCHEMBL3280119

SCHEMBL3280119

CCC(=CC(=O)O)c1cccc(CCc2ccc(C(C)(C)O[SiH2]C(C)(C)C)c(C(C)(C)O[SiH2]C(C)(C)C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.36
VDR P11473 2/20 0.35
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
MRGPRX4 Q96LA9 3/20 0.33
PPARG P37231 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARA Q07869 1/20 0.30
SLC7A5 Q01650 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA2 P00918 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
SCHEMBL3280514 0.88 VDR (0.41) VDRCYP4F2CYP4A11MRGPRX4
SCHEMBL4407806 0.87 VDR (0.40) VDRCYP4F2CYP4A11
SCHEMBL4399775 0.85 VDR (0.38) VDRCYP4F2CYP4A11
SCHEMBL4405455 0.85 CYP4F2 (0.36) CYP4F2CYP4A11MRGPRX4PPARGPPARA
SCHEMBL4407512 0.84 VDR (0.36) VDR
SCHEMBL4410313 0.84 VDR (0.39) VDR
SCHEMBL6565030 0.83 DAO (0.35)
SCHEMBL6156234 0.82 MAOB (0.39) CYP4F2CYP4A11MRGPRX4MEN1KMT2A
SCHEMBL6155834 0.80 RARA (0.33) CYP4F2CYP4A11MRGPRX4SLC7A5
SCHEMBL4399869 0.79 VDR (0.40) VDR

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