SCHEMBL6156458

SCHEMBL6156458

CC(C)(O)CCCCC=Cc1cccc(C=Cc2cc(OC3CCCCO3)cc(OC3CCCCO3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
HSD11B1 P28845 1/20 0.40
DHFR P00374 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
VDR P11473 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
CYP24A1 Q07973 1/20 0.30
PTPN1 P18031 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6154774 0.86 HMGCR (0.50) HMGCRHSD11B1DHFRKDM4EALDH1A1
SCHEMBL6156493 0.85 TBXAS1 (0.41) HSD11B1MEN1KMT2A
SCHEMBL6879375 0.84 KDM4E (0.37) HSD11B1KDM4EALDH1A1HPGDPTPN1
SCHEMBL2106706 0.75 LCK (0.49) HMGCRKDM4EALDH1A1HPGDABL1
SCHEMBL2106702 0.75 LCK (0.49) HMGCRKDM4EALDH1A1HPGDABL1
SCHEMBL2107065 0.72 LCK (0.50) HMGCRKDM4EALDH1A1HPGDABL1
SCHEMBL2107064 0.72 LCK (0.50) HMGCRKDM4EALDH1A1HPGDABL1
SCHEMBL6158244 0.70 PPARA (0.39) DHFRMEN1KMT2A
SCHEMBL6886057 0.70 CYP4F2 (0.39) DHFRKDM4EALDH1A1HPGD
SCHEMBL6156407 0.70 KDM4E (0.40) HMGCRKDM4EALDH1A1ABL1BCR

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