SCHEMBL6156678

SCHEMBL6156678

CCOCOCc1cc(/C=C/c2cccc(CCCCC(C)(C)O)c2)cc(OCOCC)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.45
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35
PPARA Q07869 6/20 0.35
PPARG P37231 4/20 0.35
VDR P11473 7/20 0.35
LCK P06239 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.34
HDAC4 P56524 2/20 0.33
MEF2D Q14814 2/20 0.33
CYP24A1 Q07973 2/20 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
SCHEMBL6156685 1.00 HMGCR (0.45) HMGCRKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL6154202 0.99 HMGCR (0.44) HMGCRKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL6154207 0.99 HMGCR (0.44) HMGCRKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL6886288 0.93 HMGCR (0.48) HMGCRKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL6886291 0.93 HMGCR (0.48) HMGCRKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL6156193 0.84 PPARA (0.41) KDM4EALDH1A1SMN1; SMN2PKMPPARA
SCHEMBL6156187 0.84 PPARA (0.41) KDM4EALDH1A1SMN1; SMN2PKMPPARA
SCHEMBL6156820 0.83 PPARA (0.43) KDM4EALDH1A1SMN1; SMN2PKMPPARA
SCHEMBL6156825 0.83 PPARA (0.43) KDM4EALDH1A1SMN1; SMN2PKMPPARA
SCHEMBL6156680 0.83 HMGCR (0.41) HMGCRKDM4EALDH1A1SMN1; SMN2PPARA

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-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
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed