SCHEMBL6516758

SCHEMBL6516758

COC(=O)Cc1ccc(OCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.52
KCNA5 P22460 1/20 0.51
KCNH2 Q12809 1/20 0.51
HDAC1 Q13547 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ECE1 P42892 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
PKM P14618 2/20 0.49

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
SCHEMBL6516295 0.90 MAPT (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6516526 0.83 GPR84 (0.61) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6536576 0.83 PPARG (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21585123 0.81 KCNA5 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6519524 0.80 SLC6A2 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL584367 0.79 PKM (0.73) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29466101 0.79 PKM (0.73) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6381192 0.79 MAPT (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6521251 0.78 MAPT (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7900907 0.77 PTGS1 (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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