SCHEMBL6523875

SCHEMBL6523875

COC(=O)C(c1ccc(OCCc2c[nH]c3ccccc23)cc1)S(=O)(=O)O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.55
KCNH2 Q12809 2/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
HCRTR1 O43613 1/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 1/20 0.46
HTT P42858 1/20 0.46
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
IL1RN P18510 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44

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
SCHEMBL6536576 0.80 PPARG (0.56) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL6516526 0.78 GPR84 (0.61) KCNA5KCNH2MEN1KMT2AMAPT
SCHEMBL6523865 0.78 MTNR1A (0.44)
SCHEMBL6516758 0.76 MAPT (0.57) KCNA5KCNH2MEN1KMT2AMAPT
SCHEMBL6516295 0.75 MAPT (0.60) KCNA5KCNH2MEN1KMT2AMAPT
SCHEMBL6381192 0.74 MAPT (0.52) KCNA5KCNH2MEN1KMT2AMAPT
SCHEMBL6521251 0.73 MAPT (0.57) KCNA5KCNH2MEN1KMT2AMAPT
SCHEMBL6519524 0.73 SLC6A2 (0.53) KCNA5MEN1KMT2AMAPTALDH1A1
SCHEMBL7900907 0.72 PTGS1 (0.54) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6386843 0.72 MAPT (0.48) KCNA5KCNH2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005514452-A 2005-05-19 JP claimed
EP-1465858-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-10-13 EP claimed
WO-2003059864-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-24 WO claimed
EP-1465858-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-10-13 EP disclosed
WO-2003059864-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-24 WO disclosed