SCHEMBL6156192

SCHEMBL6156192

CC(C)(CCCCCc1cccc(OCc2cc(O)cc(O)c2)c1)OC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
CNR1 P21554 4/20 0.38
CNR2 P34972 3/20 0.38
DHFR P00374 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
BCHE P06276 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
SCHEMBL6885859 0.87 DHFR (0.38) MGLLCNR1CNR2DHFRPPARG
SCHEMBL2107635 0.77 MGLL (0.46) MGLLCNR1CNR2PPARGPPARA
SCHEMBL6155888 0.75 HSP90AA1 (0.38) DHFR
SCHEMBL6154762 0.74 HMGCR (0.40) DHFRCYP4F2CYP4A11
SCHEMBL6881436 0.74 HMGCR (0.37) DHFR
SCHEMBL6156767 0.73 MGLL (0.35) MGLLCNR1CNR2PPARGPPARA
SCHEMBL10680301 0.72 KDM4C (0.50) MGLLDHFRCYP4F2CYP4A11BCHE
SCHEMBL6884487 0.72 HMGCR (0.35) DHFR
SCHEMBL10923937 0.72 MRGPRX4 (0.50) CNR1CNR2CYP4F2CYP4A11
SCHEMBL6155756 0.71 HMGCR (0.36) DHFR

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