SCHEMBL6156871

SCHEMBL6156871

CO[C@@H]1[C@H](O)[C@@H](O)[C@H](c2ccc3c(N4CCN(CCO)CC4)cc(=O)oc3c2C)O[C@]1(C)CO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
P4HB P07237 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
PRKDC P78527 2/20 0.36
HTR1A P08908 5/20 0.36
HTR2A P28223 5/20 0.36
P2RY12 Q9H244 1/20 0.36
RAB9A P51151 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
SCHEMBL6158814 0.93 PRKDC (0.37) KDM4EALDH1A1PDE3BPDE3AERAP1
SCHEMBL6156220 0.89 PDE3B (0.46) PDE3BPDE3APRKDC
SCHEMBL8371288 0.88 PDE3B (0.39) ALDH1A1PDE3BPDE3APRKDC
SCHEMBL6165736 0.86 PTPN1 (0.38) KDM4EALDH1A1HPGDPDE3BPDE3A
SCHEMBL6156255 0.85 MEN1 (0.38) KDM4EALDH1A1HPGDPDE3BPDE3A
SCHEMBL6156060 0.84 PDE3B (0.37) ALDH1A1PDE3BPDE3APRKDC
SCHEMBL6155515 0.82 RAB9A (0.33) KDM4EALDH1A1HPGDPDE3BPDE3A
SCHEMBL6156254 0.80 KDM4E (0.35) KDM4EALDH1A1GLAP4HBHPGD
SCHEMBL6155845 0.80 KMT2A (0.34) KDM4EALDH1A1GLAHPGDRAB9A
SCHEMBL7784158 0.76 ALDH1A1 (0.45) KDM4EALDH1A1GAAHPGDP2RY12

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-0894805-B1 Ribose substituted aromatic derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2005-02-09 EP disclosed
EP-0894805-A1 Ribose substituted aromatic derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 1999-02-03 EP disclosed