SCHEMBL6156974

SCHEMBL6156974

CCN1CCN(c2cc(=O)oc3c(C)c(O)ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 3/20 0.58
KDM4E B2RXH2 4/20 0.56
P4HB P07237 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GLA P06280 2/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
MAOB P27338 1/20 0.53
KMT2A Q03164 2/20 0.48
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ATM Q13315 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
PRKDC P78527 1/20 0.45

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
SCHEMBL6155892 0.87 MAOB (0.58) ERAP1KDM4EP4HBALDH1A1GLA
SCHEMBL6156448 0.84 PRKDC (0.64) KDM4EP4HBALDH1A1GLAHPGD
SCHEMBL6155495 0.81 MAOB (0.51) KDM4EP4HBALDH1A1GLAHPGD
SCHEMBL5345045 0.72 MAOB (0.77) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL6158814 0.72 PRKDC (0.37) ERAP1KDM4EALDH1A1PDE3BPDE3A
SCHEMBL28365890 0.71 KMT2A (0.62) KDM4EALDH1A1GAAKMT2AATM
SCHEMBL4187220 0.71 MAOB (1.00) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL15836706 0.71 KMT2A (0.69) KDM4EP4HBALDH1A1GLAHPGD
SCHEMBL15984890 0.70 KDM4E (0.64) ERAP1KDM4EP4HBALDH1A1GLA
SCHEMBL6155496 0.70 MAOB (0.73) KDM4EALDH1A1GLAHPGDGAA

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
EP-0894805-B1 Ribose substituted aromatic derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2005-02-09 EP disclosed
US-5968939-A ANTIBIOTICS FROM AMINOOXOBENZOPYRAN COMPOUNDS HOECHST MARION ROUSSEL (FR) 1999-10-19 US disclosed
EP-0894805-A1 Ribose substituted aromatic derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 1999-02-03 EP disclosed