SCHEMBL6523865

SCHEMBL6523865

COC(=O)C(c1ccc(OCCc2cc3ccccc3[nH]2)cc1)S(=O)(=O)O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 4/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
CYP2D6 P10635 3/20 0.42
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
DRD2 P14416 2/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
ADAMTS4 O75173 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL6523869 0.89 MTNR1A (0.43) MTNR1AMTNR1BPPARGPPARDPPARA
SCHEMBL6536575 0.81 PPARG (0.66) MTNR1AMTNR1BPPARGPPARDPPARA
SCHEMBL6516521 0.78 MAPT (0.57) MTNR1AMTNR1BADRB1HTR1AADRA2C
SCHEMBL6523875 0.78 KCNA5 (0.55)
SCHEMBL6516755 0.76 ALDH1A1 (0.50) MTNR1AMTNR1BPPARGPPARDPPARA
SCHEMBL6516292 0.75 FFAR1 (0.49) MTNR1AMTNR1BPPARGPPARDPPARA
SCHEMBL7490651 0.74 PKM (0.55) MTNR1AMTNR1BDRD3DRD2PDGFRB
SCHEMBL27622018 0.74 TAS1R3 (0.45) MTNR1AMTNR1BPPARGPPARDPPARA
SCHEMBL7491842 0.74 ITGB3 (0.56) ADAMTS4
SCHEMBL6536071 0.74 MTNR1A (0.46) MTNR1AMTNR1BADRB1HTR1AADRA2C

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