SCHEMBL6516295

SCHEMBL6516295

COC(=O)CCc1ccc(OCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
HDAC1 Q13547 1/20 0.52
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
KCNA5 P22460 1/20 0.50
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL6516758 0.90 MAPT (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Methyl 3-(3-Indolylmethyl)Propanoate SCHEMBL290808 0.84 MAPT (0.71) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6516526 0.82 GPR84 (0.61) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6536576 0.82 PPARG (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29879164 0.81 SMN1; SMN2 (0.65) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22931832 0.81 SMN1; SMN2 (0.65) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21585123 0.80 KCNA5 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1745296 0.80 FFAR1 (0.59) MEN1KMT2AMTNR1AMTNR1BHPGD
SCHEMBL6519524 0.79 SLC6A2 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1358575 0.79 CYP1A2 (0.76) 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