SCHEMBL6536272

SCHEMBL6536272

CCOC(=O)C(=Cc1ccc(OCCc2c[nH]c3ccccc23)cc1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
NR1H4 Q96RI1 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
PKM P14618 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 11/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.49
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.47
KCNA5 P22460 1/20 0.47
KCNH2 Q12809 1/20 0.47
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45

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
SCHEMBL6381192 0.89 MAPT (0.52) SMN1; SMN2CYP1A2CYP2C19PKMMEN1
SCHEMBL6380429 0.86 MAPT (0.51) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL6535395 0.78 GSK3B (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL6521251 0.78 MAPT (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL6536271 0.77 NR1H4 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19NR1H4
SCHEMBL11330304 0.75 NR1H4 (0.67) SMN1; SMN2CYP1A2CYP2C9CYP2C19NR1H4
SCHEMBL6809806 0.75 MAPT (0.71) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21585123 0.75 KCNA5 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL6516526 0.74 GPR84 (0.61) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL6714267 0.74 SSTR2 (0.54) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP3A4

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