SCHEMBL5349079

SCHEMBL5349079

CC/C=C/C/C=C/C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.67
ALDH1A1 P00352 6/20 0.58
CYP19A1 P11511 4/20 0.58
OXER1 Q8TDS5 4/20 0.58
PPARG P37231 3/20 0.58
MAPT P10636 3/20 0.58
RXRA P19793 2/20 0.58
FFAR1 O14842 2/20 0.58
PTGS1 P23219 4/20 0.54
F7 P08709 3/20 0.54
F3 P13726 3/20 0.54
KMT2A Q03164 2/20 0.54
PPARD Q03181 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
BLM P54132 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50

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
SCHEMBL30635446 1.00 PPARA (0.67) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL18714031 1.00 PPARA (0.67) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL5349084 1.00 PPARA (0.67) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL29349854 0.91 PPARA (0.75) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL23698082 0.87 ALDH1A1 (0.70) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL18766262 0.87 PPARA (0.65) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL23698080 0.87 ALDH1A1 (0.70) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL18766259 0.87 PPARA (0.65) PPARAALDH1A1CYP19A1OXER1PPARG
Benzene SCHEMBL27341106 0.86 PPARA (0.52) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL2744092 0.86 PPARA (0.81) PPARAALDH1A1CYP19A1OXER1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed