SCHEMBL6937223

SCHEMBL6937223

Cc1c(O)ccc2c(OCc3ccccc3)c(C(=O)O)c(=O)oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.55
GAA P10253 3/20 0.53
TP53 P04637 1/20 0.53
ESR2 Q92731 6/20 0.50
KCNA2 P16389 1/20 0.48
KCNA5 P22460 1/20 0.48
KCNA1 Q09470 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 3/20 0.47
MAOB P27338 3/20 0.46
ESR1 P03372 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
JAK2 O60674 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
MPI P34949 1/20 0.46
HTT P42858 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL6866676 0.89 SHBG (0.51) SHBGGAATP53ESR2KCNA2
SCHEMBL6860101 0.85 SHBG (0.47) SHBGGAATP53ESR2KCNA2
SCHEMBL27500090 0.83 KCNA2 (0.47) GAAKCNA2KCNA5KCNA1MAPT
SCHEMBL6870370 0.78 MAOB (0.41) SHBGGAATP53ESR2KCNA2
SCHEMBL7793419 0.77 KDM4E (0.42) TP53MAPTKDM4ESMN1; SMN2POLB
SCHEMBL6818079 0.74 LMNA (0.51) GAAKCNA2KCNA5KCNA1MAPT
SCHEMBL7793422 0.74 KDM4E (0.35) KCNA2KCNA5KCNA1KDM4EMAOB
SCHEMBL6940375 0.74 HSP90AB1 (0.52) KDM4E
SCHEMBL6940374 0.74 HSP90AB1 (0.52) KDM4E
SCHEMBL24045237 0.72 GAA (0.55) SHBGGAATP53ESR2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045856-B1 NOVEL AROMATIC AMIDES, PREPARATION METHOD AND APPLICATION AS MEDICINES AVENTIS PHARMA SA (FR) 2003-04-09 EP disclosed
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
EP-1045856-A1 NOVEL AROMATIC AMIDES, PREPARATION METHOD AND APPLICATION AS MEDICINES HOECHST MARION ROUSSEL (FR) 2000-10-25 EP disclosed
WO-1999035155-A1 NOVEL AROMATIC AMIDES, PREPARATION METHOD AND APPLICATION AS MEDICINES HOECHST MARION ROUSSEL (FR) 1999-07-15 WO disclosed
EP-0906326-A1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE HOECHST MARION ROUSSEL (FR) 1999-04-07 EP disclosed
WO-1997047634-A1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE HOECHST MARION ROUSSEL (FR) 1997-12-18 WO disclosed