SCHEMBL5249256

SCHEMBL5249256

CC(C)(C)[Si](C)(C)OCCCOOC(=O)c1ccc(-c2cccc(-c3ccc(N4CCCC4)cc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.38
SIRT1 Q96EB6 3/20 0.36
DGAT2 Q96PD7 1/20 0.35
CHEK1 O14757 1/20 0.34
RARA P10276 3/20 0.34
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
AOC3 Q16853 1/20 0.34
FFAR1 O14842 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
STAT1 P42224 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5252128 0.83 RARA (0.41) SIRT2SIRT1RARARARBRARG
SCHEMBL382430 0.78 RARG (0.48) SIRT2SIRT1RARARARBRARG
SCHEMBL382163 0.72 HRH3 (0.43) SIRT2SIRT1NPC1MAPTRAB9A
SCHEMBL382484 0.68 RARG (0.63) SIRT2SIRT1RARARARBRARG
SCHEMBL15033636 0.66 CHKA (0.44) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL382829 0.66 RARG (0.65) SIRT2SIRT1RARARARBRARG
SCHEMBL381628 0.63 PDGFRB (0.41) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL17857889 0.63 HTR1A (0.53) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL26139373 0.63 ALDH1A1 (0.48) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL8159908 0.63 MAPT (0.51) NPC1MAPTRAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831149-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-12 EP disclosed
WO-2006066978-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS, AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-29 WO disclosed