SCHEMBL6155055

SCHEMBL6155055

CC(C)(O)CCCCCc1cccc(/C=C/c2cc(O)cc(O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.56
LCK P06239 1/20 0.47
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
VDR P11473 4/20 0.42
CYP24A1 Q07973 2/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
TTR P02766 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL2106842 1.00 HMGCR (0.56) HMGCRLCKPTGS1PTGS2VDR
SCHEMBL6155060 1.00 HMGCR (0.56) HMGCRLCKPTGS1PTGS2VDR
SCHEMBL2106841 1.00 HMGCR (0.56) HMGCRLCKPTGS1PTGS2VDR
SCHEMBL2107875 0.99 HMGCR (0.57) HMGCRLCKPTGS1PTGS2VDR
SCHEMBL2107876 0.99 HMGCR (0.57) HMGCRLCKPTGS1PTGS2VDR
SCHEMBL2108149 0.93 HMGCR (0.57) HMGCRLCKAKR1B10AKR1B1ABL1
SCHEMBL2106285 0.93 HMGCR (0.57) HMGCRLCKAKR1B10AKR1B1ABL1
SCHEMBL2106283 0.93 HMGCR (0.57) HMGCRLCKAKR1B10AKR1B1ABL1
SCHEMBL2108148 0.93 HMGCR (0.57) HMGCRLCKAKR1B10AKR1B1ABL1
SCHEMBL6154965 0.93 HMGCR (0.52) HMGCRLCKPTGS1PTGS2VDR

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