SCHEMBL7793594

SCHEMBL7793594

[CH2]C(C)Cc1cc(=O)oc2c(C)c(OC3CCCCO3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 4/20 0.49
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KDM4E B2RXH2 6/20 0.42
HPGD P15428 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
RCE1 Q9Y256 1/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PON1 P27169 1/20 0.37

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
SCHEMBL6869573 0.85 KMT2A (0.45) KMT2AMEN1MAOAMAOBKDM4E
SCHEMBL6867070 0.81 MAOB (0.51) KMT2AMEN1MAOAMAOBKDM4E
SCHEMBL7793591 0.81 MAOA (0.47) KMT2AMEN1MAOAMAOBKDM4E
SCHEMBL6867371 0.79 ALDH1A1 (0.56) KMT2AMEN1MAOAMAOBKDM4E
SCHEMBL6869569 0.77 MAOA (0.43) KMT2AMEN1MAOAMAOBKDM4E
SCHEMBL6869570 0.76 MAOA (0.43) KMT2AMEN1MAOAMAOBKDM4E
SCHEMBL7794175 0.71 GBA1 (0.42) KMT2AMAOAMAOBKDM4EHPGD
SCHEMBL6867087 0.70 RAB9A (0.39) KMT2AMEN1MAOAMAOBKDM4E
SCHEMBL6867104 0.69 MAOA (0.41) KMT2AMEN1MAOAMAOBHSD17B10
SCHEMBL6867776 0.69 GBA1 (0.44) KMT2AMEN1MAOAMAOBKDM4E

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