SCHEMBL6158814

SCHEMBL6158814

CCN1CCN(c2cc(=O)oc3c(C)c([C@@H]4O[C@](C)(CO)[C@H](OC)[C@H](O)[C@H]4O)ccc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34

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
SCHEMBL6156871 0.93 KDM4E (0.42) PRKDCPDE3BPDE3AERAP1ALDH1A1
SCHEMBL6156220 0.89 PDE3B (0.46) PRKDCPDE3BPDE3A
SCHEMBL8371288 0.89 PDE3B (0.39) PRKDCPDE3BPDE3AALDH1A1
SCHEMBL6165736 0.87 PTPN1 (0.38) PRKDCPDE3BPDE3AALDH1A1KDM4E
SCHEMBL6156255 0.86 MEN1 (0.38) PRKDCPDE3BPDE3AALDH1A1KDM4E
SCHEMBL6156060 0.85 PDE3B (0.37) PRKDCPDE3BPDE3AALDH1A1
SCHEMBL6155515 0.82 RAB9A (0.33) PRKDCPDE3BPDE3AALDH1A1KDM4E
SCHEMBL6156254 0.80 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL6155845 0.80 KMT2A (0.34) ALDH1A1KDM4E
SCHEMBL7784158 0.77 ALDH1A1 (0.45) ALDH1A1KDM4E

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