SCHEMBL7793591

SCHEMBL7793591

Cc1c(OC2CCCCO2)ccc2c([CH]C(C)C)cc(=O)oc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 6/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4B Q07343 1/20 0.37
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
PTPN1 P18031 2/20 0.35
GBA1 P04062 1/20 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
SCHEMBL6867070 0.82 MAOB (0.51) MAOAMAOBKMT2AMEN1HPGD
SCHEMBL7793594 0.81 KMT2A (0.49) MAOAMAOBKMT2AMEN1HPGD
SCHEMBL6867371 0.80 ALDH1A1 (0.56) MAOAMAOBKMT2AMEN1HPGD
SCHEMBL6869569 0.78 MAOA (0.43) MAOAMAOBKMT2AMEN1HPGD
SCHEMBL6869570 0.77 MAOA (0.43) MAOAMAOBKMT2AMEN1HPGD
SCHEMBL6869573 0.76 KMT2A (0.45) MAOAMAOBKMT2AMEN1HPGD
SCHEMBL6867104 0.72 MAOA (0.41) MAOAMAOBKMT2AMEN1HSD17B10
SCHEMBL7794175 0.70 GBA1 (0.42) MAOAMAOBKMT2AHPGDALDH1A1
SCHEMBL6867776 0.70 GBA1 (0.44) MAOAMAOBKMT2AMEN1HPGD
SCHEMBL6867087 0.69 RAB9A (0.39) MAOAMAOBKMT2AMEN1HPGD

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