SCHEMBL6908971

SCHEMBL6908971

O=C(c1ccccc1)c1ccc(OCC(O)COCCCCCCOCC(O)COc2ccc(C(=O)c3ccccc3)c(O)c2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PGR P06401 1/20 0.52
CYP2D6 P10635 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
CYP2C19 P33261 1/20 0.52
HRH1 P35367 1/20 0.52
HTT P42858 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PDE4D Q08499 1/20 0.52
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48

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
SCHEMBL6905700 1.00 HPGD (0.52) HPGDMAPK1ALDH1A1LMNACYP1A2
SCHEMBL453969 0.95 PLA2G4B (0.54) HPGDMAPK1ALDH1A1LMNACYP1A2
SCHEMBL30298050 0.95 PLA2G4B (0.54) HPGDMAPK1ALDH1A1LMNACYP1A2
SCHEMBL451455 0.95 PLA2G4B (0.54) HPGDMAPK1ALDH1A1LMNACYP1A2
SCHEMBL29907885 0.95 PLA2G4B (0.54) HPGDMAPK1ALDH1A1LMNACYP1A2
SCHEMBL28977113 0.93 HPGD (0.50) HPGDMAPK1ALDH1A1LMNACYP1A2
SCHEMBL9208030 0.90 HPGD (0.62) HPGDMAPK1ALDH1A1LMNACYP1A2
SCHEMBL30069001 0.90 HPGD (0.62) HPGDMAPK1ALDH1A1LMNACYP1A2
SCHEMBL12602536 0.87 HPGD (0.63) HPGDMAPK1ALDH1A1LMNACYP1A2
SCHEMBL551152 0.85 HPGD (0.66) HPGDMAPK1ALDH1A1LMNACYP1A2

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
EP-1232209-B1 DIMERIC LIGHT STABILIZERS FOR POLYOLEFINS AND POLYOLEFIN COPOLYMERS CIBA SC HOLDING AG (CH) 2004-12-15 EP disclosed
US-6495622-B1 SUCH AS 1,8-DI-(2-HYDROXY-3-(3-HYDROXY-4-BENZOYLPHENOXY)-PROPOXY)-OCTANE; OXYGEN AND/OR HEAT RESISTANCE; NONWOVEN FABRICS; FOOD PACKAGING FILMS CIBA SPECIALTY CHEMICALS CORPORATION 2002-12-17 US disclosed