SCHEMBL7804666

SCHEMBL7804666

O=C(O)COc1ccc(C2=CCN(C(=O)c3cccc4ccccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
NR1D1 P20393 1/20 0.45
PTGDR Q13258 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
CYP2C9 P11712 1/20 0.45
PTGER2 P43116 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
HTR1A P08908 1/20 0.44
DRD4 P21917 1/20 0.44
MAPT P10636 1/20 0.44
AVPR1A P37288 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 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
SCHEMBL7811365 0.91 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7813977 0.90 S1PR1 (0.52) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7811466 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AMEN1PTGDR
SCHEMBL9011160 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9011192 0.82 MEN1 (0.51) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7814230 0.82 PTPN7 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2HTR1A
SCHEMBL7813847 0.82 PPARG (0.55) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9011037 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7817501 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL12376851 0.78 GCGR (0.52) ALDH1A1KMT2AMEN1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed