SCHEMBL7086477

SCHEMBL7086477

C=C(CC(=O)OCc1cccc(C)c1C)C(=O)OCc1cccc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
LMNA P02545 3/20 0.39
NLRP3 Q96P20 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CD38 P28907 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL9818570 0.88 GAA (0.45) GAALMNANLRP3CYP3A4CYP2D6
SCHEMBL1592408 0.84 GAA (0.47) GAALMNANLRP3CYP3A4CYP2D6
SCHEMBL3393196 0.83 GAA (0.42) GAALMNANLRP3CYP3A4CYP2D6
SCHEMBL10934415 0.82 GAA (0.41) GAALMNANLRP3CYP3A4CYP2D6
SCHEMBL3273738 0.80 ALDH1A1 (0.55) GAALMNANLRP3CYP3A4CYP2D6
SCHEMBL7089064 0.78 IDO1 (0.45) LMNAALDH1A1NPSR1MAPTL3MBTL1
SCHEMBL1683495 0.78 IDO1 (0.45) GAACYP3A4ALDH1A1HPGDNPSR1
SCHEMBL7089127 0.78 POLB (0.48) CYP3A4ALDH1A1MAPTL3MBTL1HTT
SCHEMBL8979685 0.78 ALDH1A1 (0.48) LMNAALDH1A1KDM4EMAPTRAB9A
SCHEMBL6552314 0.77 ESR1 (0.45) GAALMNANLRP3CYP3A4CYP2D6

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
JP-60064347-A None JP disclosed
EP-1331494-A1 COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND PLASTIC LENS NOF CORPORATION (JP) 2003-07-30 EP disclosed
JP-S6064347-A FORMATION OF PATTERN FUJITSU LTD 1985-04-12 JP disclosed