SCHEMBL7792709

SCHEMBL7792709

CO[C@@H]1[C@H](O)[C@@H](OC2CCCCO2)[C@H](c2ccc3c(O)cc(=O)oc3c2C)O[C@]1(C)CO

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
CA12 O43570 1/20 0.30
TNF P01375 1/20 0.30
CA9 Q16790 1/20 0.30
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL7793405 0.82 LMNA (0.30)
SCHEMBL7792732 0.82 LMNA (0.30)
SCHEMBL6869377 0.81 HSP90AB1 (0.40) KDM4E
SCHEMBL6869379 0.81 HSP90AB1 (0.40) KDM4E
SCHEMBL7789936 0.80
SCHEMBL6156254 0.74 KDM4E (0.35) POLBKDM4EALDH1A1GLAHPGD
SCHEMBL6155845 0.73 KMT2A (0.34) POLBKDM4EALDH1A1GLAHPGD
SCHEMBL7190073 0.72 KMT2A (0.35) KDM4E
SCHEMBL6864405 0.71 KDM4E (0.42) KDM4EALDH1A1HPGD
SCHEMBL6864406 0.71 KDM4E (0.42) KDM4EALDH1A1HPGD

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
EP-0906326-B1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE AVENTIS PHARMA SA (FR) 2001-11-21 EP disclosed