SCHEMBL13623209

SCHEMBL13623209

COc1ccc(C(C)(C)c2ccc(C(C)=O)c(O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.66
▸ HPGD P15428 4/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ MAPK1 P28482 3/20 0.66
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MAOB P27338 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ PGR P06401 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ AR P10275 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HTT P42858 3/20 0.44

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
SCHEMBL9676222 0.88 NPC1 (0.50) CYP3A4HPGDALDH1A1MAPK1NPC1
SCHEMBL13135102 0.88 ALDH1A1 (0.53) CYP3A4HPGDALDH1A1MAPK1NPC1
SCHEMBL9003527 0.81 KDM4E (0.47) CYP3A4HPGDALDH1A1MAPK1NPC1
Paeonol SCHEMBL3710243 0.80 HPGD (1.00) CYP3A4HPGDALDH1A1MAPK1NPC1
Paeonol SCHEMBL1449478 0.80 HPGD (1.00) CYP3A4HPGDALDH1A1MAPK1NPC1
Paeonol SCHEMBL29349833 0.80 HPGD (1.00) CYP3A4HPGDALDH1A1MAPK1NPC1
SCHEMBL9677356 0.79 MAPT (0.50) CYP3A4HPGDALDH1A1MAPK1NPC1
Paeonol SCHEMBL28301567 0.79 HPGD (0.96) CYP3A4HPGDALDH1A1MAPK1NPC1
SCHEMBL4395924 0.78 CA1 (0.53) CYP3A4HPGDALDH1A1MAPK1NPC1
SCHEMBL12083830 0.77 MAPT (0.57) HPGDALDH1A1MAPK1NPC1RAB9A

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-7618709-B2 Fluorescent articles having multiple film layers AVERY DENNISON CORPORATION (US) 2009-11-17 — — US disclosed
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