SCHEMBL13712337

SCHEMBL13712337

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
TSHR P16473 3/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HCAR2 Q8TDS4 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL30722024 0.84 TSHR (0.60) KDM4ETSHRHCAR2KEAP1NFE2L2
SCHEMBL31362035 0.83 TSHR (0.41) KDM4ETSHRMGAMGAASI
SCHEMBL17243706 0.80 KDM4E (0.36) KDM4ETSHRMGAMGAASI
SCHEMBL14478054 0.79 KDM4E (0.65) KDM4ETSHRMGAMGAASI
SCHEMBL1669126 0.79 KDM4E (0.46) KDM4ETSHRMGAMGAASI
SCHEMBL10071805 0.79 KDM4E (0.65) KDM4ETSHRMGAMGAASI
SCHEMBL24180793 0.76 KDM4E (0.43) KDM4ETSHRMGAMGAASI
SCHEMBL27674025 0.75 TSHR (0.52) KDM4ETSHRMGAMGAASI
SCHEMBL9054271 0.75 KDM4E (0.44) KDM4ETSHRALOX15HSD17B10
SCHEMBL18470363 0.74 KDM4E (0.41) KDM4ETSHRMGAMGAASI

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-7592449-B2 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed