SCHEMBL6523260

SCHEMBL6523260

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
AR P10275 1/20 0.41
TP53 P04637 1/20 0.40
DRD3 P35462 3/20 0.40
DRD2 P14416 2/20 0.40
PDGFRB P09619 4/20 0.40
PDGFRA P16234 4/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL6536071 0.88 MTNR1A (0.46) MTNR1AMTNR1BHDAC3HDAC1HDAC8
SCHEMBL6536271 0.86 NR1H4 (0.55) MTNR1AMTNR1BHDAC3HDAC1HDAC8
SCHEMBL6535392 0.83 RAB9A (0.48) MTNR1AMTNR1BHDAC3HDAC1HDAC8
SCHEMBL7490651 0.82 PKM (0.55) MTNR1AMTNR1BARTP53DRD3
SCHEMBL6519515 0.79 PPARG (0.55) MTNR1AMTNR1BARDRD3DRD2
SCHEMBL6516521 0.76 MAPT (0.57) MTNR1AMTNR1BDRD3PDGFRBPDGFRA
SCHEMBL6380429 0.74 MAPT (0.51) MTNR1AMTNR1BHDAC1
SCHEMBL6516755 0.74 ALDH1A1 (0.50) MTNR1AMTNR1BHDAC3HDAC1HDAC8
SCHEMBL6387984 0.74 MTNR1A (0.44) MTNR1AMTNR1BARDRD3DRD2
SCHEMBL6516292 0.74 FFAR1 (0.49) MTNR1AMTNR1BDRD3PDGFRBPDGFRA

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