SCHEMBL6205218

SCHEMBL6205218

CC(=O)c1ccccc1Oc1cc(OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 4/20 0.49
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
SGMS2 Q8NHU3 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 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
SCHEMBL384341 0.88 MAOB (0.78) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL29369517 0.88 MAOB (0.78) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL2785214 0.84 MAOB (0.71) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL30468871 0.82 SGMS2 (0.67) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL71081 0.82 SGMS2 (0.67) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL26455225 0.82 MAOB (0.64) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL29466867 0.81 MAOB (0.68) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL10797158 0.81 MAOB (0.72) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL29184830 0.80 MAOB (0.70) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL6450099 0.80 MAOB (0.65) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO disclosed
EP-1412343-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2004-04-28 EP disclosed
WO-2003006452-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2003-01-23 WO disclosed