SCHEMBL6879375

SCHEMBL6879375

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD11B1 P28845 1/20 0.37
IARS1 P41252 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
HDAC3 O15379 1/20 0.34
STAT3 P40763 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL6156493 0.90 TBXAS1 (0.41) HSD11B1LTB4RLTB4R2PPARGPPARA
SCHEMBL6886057 0.86 CYP4F2 (0.39) KDM4EALDH1A1HPGDHDAC1HDAC8
SCHEMBL6156458 0.84 HMGCR (0.40) KDM4EALDH1A1HPGDHSD11B1PTPN1
SCHEMBL6158244 0.76 PPARA (0.39) PPARGPPARA
SCHEMBL6887533 0.74 HDAC1 (0.40) KDM4EALDH1A1HDAC1HDAC8LTB4R
SCHEMBL6887538 0.74 HDAC1 (0.40) KDM4EALDH1A1HDAC1HDAC8LTB4R
SCHEMBL10698849 0.72 PTGER2 (0.46) PPARGPPARA
SCHEMBL6885033 0.71 PPARG (0.39) KDM4EALDH1A1HDAC1HDAC8CYP4F2
SCHEMBL6885040 0.71 PPARG (0.39) KDM4EALDH1A1HDAC1HDAC8CYP4F2
SCHEMBL6154774 0.70 HMGCR (0.50) KDM4EALDH1A1HPGDHSD11B1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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