SCHEMBL6158285

SCHEMBL6158285

CCC(O)(CC)CCCNc1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.49
MAOB P27338 8/20 0.42
PPARA Q07869 3/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
CASP6 P55212 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
SCHEMBL6155122 0.84 VDR (0.48) VDRTHRB
SCHEMBL6158294 0.82 PDK1 (0.41) MAOBPPARAPDK1PDK2PDK3
SCHEMBL6156099 0.82 VDR (0.48) VDRTHRB
SCHEMBL4169944 0.80 VDR (0.50) VDRMAOBAPPPKM
SCHEMBL6156380 0.80 VDR (0.50) VDRMAOBPKM
SCHEMBL2785501 0.79 VDR (0.49) VDR
SCHEMBL6155129 0.78 VDR (0.48) VDRAPP
SCHEMBL6156102 0.78 VDR (0.48) VDRAPP
SCHEMBL6155609 0.78 VDR (0.48) VDR
SCHEMBL6155846 0.77 VDR (0.46) VDRMAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed