SCHEMBL6536271

SCHEMBL6536271

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
MAPT P10636 8/20 0.48
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HSP90AA1 P07900 3/20 0.44
HPGD P15428 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42

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 0.89 MTNR1A (0.46) NR1H4MTNR1AMTNR1BPDGFRBPDGFRA
SCHEMBL6523260 0.86 MTNR1A (0.43) MAPK1MTNR1AMTNR1BPDGFRBPDGFRA
SCHEMBL6521247 0.79 PPARG (0.53) KMT2AMEN1MAPK1ALDH1A1MTNR1A
SCHEMBL6535392 0.78 RAB9A (0.48) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL6536272 0.77 SMN1; SMN2 (0.55) NR1H4KMT2AMEN1MAPTLMNA
SCHEMBL11330304 0.75 NR1H4 (0.67) NR1H4KMT2AMEN1MAPTLMNA
SCHEMBL7490651 0.75 PKM (0.55) MAPTMAPK1KDM4EHPGDMTNR1A
SCHEMBL6516521 0.74 MAPT (0.57) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL11100803 0.74 NR1H4 (0.72) NR1H4KMT2AMEN1MAPTLMNA
SCHEMBL9062140 0.74 NR1H4 (0.61) NR1H4KMT2AMEN1MAPTLMNA

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