SCHEMBL2050434

SCHEMBL2050434

CC=CCCC=CCC=CCC(C)(C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
PPARG P37231 5/20 0.36
MAPT P10636 4/20 0.36
CYP19A1 P11511 3/20 0.36
OXER1 Q8TDS5 3/20 0.36
FFAR1 O14842 3/20 0.36
RXRA P19793 2/20 0.36
PTGS1 P23219 3/20 0.35
F13A1 P00488 1/20 0.35
THRB P10828 1/20 0.35
FASN P49327 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 4/20 0.34
PPARD Q03181 3/20 0.34
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
KMT2A Q03164 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
BLM P54132 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL18092737 0.94 ACLY (0.34) PPARGPPARAPPARDCNR1
SCHEMBL20544728 0.79 ACLY (0.38) PPARGPPARAPPARDCNR1
SCHEMBL6878030 0.78
SCHEMBL6878033 0.78
SCHEMBL2572543 0.77 ACLY (0.50) PPARGMAPTCYP19A1PTGS1PPARA
SCHEMBL1782249 0.76 GGPS1 (0.36) MAPTBLMUSP2LMNAFABP4
SCHEMBL1782250 0.76 GGPS1 (0.36) MAPTBLMUSP2LMNAFABP4
SCHEMBL31277806 0.73
SCHEMBL4779036 0.72 ACLY (0.48) PPARGMAPTCYP19A1PTGS1PPARA
SCHEMBL3635305 0.71 ALDH1A1 (0.34) ALDH1A1PPARGMAPTCYP19A1OXER1

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-2334628-A2 SPECIFIC POLYBRANCHED POLYALDEHYDES, POLYALCOHOLS, AND SURFACTANTS AND CONSUMER PRODUCTS BASED THEREON The Procter & Gamble Company (US) 2011-06-22 EP disclosed
EP-2328856-A2 SPECIFIC BRANCHED ALDEHYDES, ALCOHOLS, SURFACTANTS AND CONSUMER PRODUCTS BASED THEREON The Procter & Gamble Company (US) 2011-06-08 EP disclosed
WO-2010033976-A2 SPECIFIC BRANCHED ALDEHYDES, ALCOHOLS, SURFACTANTS AND CONSUMER PRODUCTS BASED THEREON THE PROCTER & GAMBLE COMPANY (US) 2010-03-25 WO disclosed