SCHEMBL6156767

SCHEMBL6156767

CC(C)(CCCCCc1cccc(OCc2cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2)c1)OC1OCCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
PPARA Q07869 4/20 0.34
PPARG P37231 3/20 0.34
MAOB P27338 5/20 0.33
GRM5 P41594 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NAAA Q02083 1/20 0.31
BCHE P06276 2/20 0.31

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 0.85 DHFR (0.38) MGLLPPARAPPARGHPGDNPC1
SCHEMBL6157458 0.79 HMGCR (0.34)
SCHEMBL6156794 0.79 HMGCR (0.33)
SCHEMBL6157460 0.73 BACE1 (0.33)
SCHEMBL6158268 0.73 BACE1 (0.33)
SCHEMBL6156192 0.73 MGLL (0.39) MGLLPPARAPPARGCNR1CNR2
SCHEMBL6155888 0.70 HSP90AA1 (0.38) HPGDNPC1ALDH1A1RAB9A
SCHEMBL6157494 0.69
SCHEMBL6879672 0.68 HMGCR (0.33)
SCHEMBL6160284 0.67 HMGCR (0.32)

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 3 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
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