SCHEMBL6536071

SCHEMBL6536071

COC(=O)C(=Cc1ccc(OCCc2cc3ccccc3[nH]2)cc1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
DRD3 P35462 3/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2B P41595 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ATP6V1B1 P15313 1/20 0.42
DRD2 P14416 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL6536271 0.89 NR1H4 (0.55) MTNR1AMTNR1BDRD3HDAC3HDAC4
SCHEMBL6523260 0.88 MTNR1A (0.43) MTNR1AMTNR1BDRD3DRD2HDAC3
SCHEMBL6516521 0.81 MAPT (0.57) MTNR1AMTNR1BDRD3ADRB1HTR1A
SCHEMBL6535392 0.80 RAB9A (0.48) MTNR1AMTNR1BDRD3DRD2HDAC3
SCHEMBL5414725 0.79 PPARA (0.55) HDAC1NR1H4
SCHEMBL6516755 0.79 ALDH1A1 (0.50) MTNR1AMTNR1BDRD3ADRB1HTR1A
SCHEMBL6516292 0.78 FFAR1 (0.49) MTNR1AMTNR1BDRD3ADRB1PDGFRB
SCHEMBL6536575 0.77 PPARG (0.66) MTNR1AMTNR1BDRD3ADRB1HTR1A
SCHEMBL7490651 0.77 PKM (0.55) MTNR1AMTNR1BDRD3DRD2PDGFRB
SCHEMBL6381192 0.76 MAPT (0.52) MTNR1AMTNR1BHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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