SCHEMBL4991668

SCHEMBL4991668

CC(C)(C)c1cc(CN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CCCCCCCCCCCCCC(SCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.37
KMT2A Q03164 3/20 0.36
EPHX1 P07099 1/20 0.35
PPARG P37231 3/20 0.35
ALOX5 P09917 2/20 0.35
F2R P25116 1/20 0.35
PTGES O14684 1/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 2/20 0.34
HSD17B10 Q99714 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
SCHEMBL11483346 0.93 GAA (0.40) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL2565851 0.93 GAA (0.40) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL39863 0.93 GAA (0.40) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL247710 0.93 GAA (0.40) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL76503 0.84 VCAM1 (0.37) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL8527204 0.84 VCAM1 (0.37) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL10781728 0.83 EPHX1 (0.51) ALDH1A1MAPTKDM4EMAPK1GAA
SCHEMBL11861605 0.80 PPARG (0.33) GAAKMT2AEPHX1PPARGALOX5
SCHEMBL11175139 0.79 GAA (0.40) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL11175141 0.78 GPR84 (0.39) ALDH1A1MAPTMAPK1GAATSHR

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
US-7390574-B2 polypropylene, polyethylene or thermoplastic resin moldings, mixed with maleated alpha-olefin functionalized with a long chain alcohols, fatty amides and stabilizer agents, to imparting wear resistance CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-24 US disclosed
US-20060276571-A1 Scratch resistant polyolefins CIBA SPECIALTY CHEMICALS CORP. 2006-12-07 US disclosed
US-6448208-B1 LOW VOLATILITY ADDITIVES FOR COMPOSITIONS COMPRISING AN ORGANIC MATERIAL, PREFERABLY A FUEL OR LUBRICANT, OR A POLYMER; ANTIOXIDANTS; STABILIZING AGENTS AGAINST THERMAL OR LIGHT-INDUCED DEGRADATION CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-10 US disclosed