SCHEMBL3174394

SCHEMBL3174394

CCCCCCCCCCCCCCC1C=COC1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
PPARG P37231 2/20 0.38
CES2 O00748 1/20 0.38
POLB P06746 1/20 0.36
FASN P49327 1/20 0.36
DNTT P04053 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
PRKCA P17252 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
GRM2 Q14416 3/20 0.34
HTT P42858 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
SCHEMBL663701 1.00 CYP1A2 (0.39) CYP1A2PPARGCES2POLBFASN
SCHEMBL29222062 1.00 CYP1A2 (0.39) CYP1A2PPARGCES2POLBFASN
SCHEMBL665389 1.00 CYP1A2 (0.39) CYP1A2PPARGCES2POLBFASN
SCHEMBL15152182 0.98 CYP1A2 (0.36) CYP1A2PPARGCES2POLBFASN
SCHEMBL28659621 0.88 CYP1A2 (0.36) CYP1A2PPARGCES2DNTTDAGLA
SCHEMBL6288737 0.84
SCHEMBL11766874 0.76 NFKB1 (0.41) CYP1A2PPARGCES2DNTTALDH1A1
SCHEMBL7925741 0.73 PPARG (0.40) CYP1A2PPARGCES2POLBFASN
SCHEMBL1752692 0.69 KMT2A (0.38) CES2
SCHEMBL663913 0.69 ALDH1A1 (0.38) CYP1A2PPARGCES2DAGLAPRKCA

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
WO-2009143065-A2 RICE BRAN EXTRACTS AND METHODS OF USE THEREOF RICE SCIENCE, LLC (US) 2009-11-26 WO claimed
US-20100015258-A1 Rice Bran Extracts and Methods of Use Thereof HALPERN, BARUCH 2010-01-21 US disclosed