SCHEMBL7811489

SCHEMBL7811489

O=C(O)CC(COc1ccccc1)C1=CCN(C(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR Q13258 4/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.43
PTGER2 P43116 3/20 0.43
CYP2C9 P11712 1/20 0.43
CASP3 P42574 1/20 0.42
NR1D1 P20393 1/20 0.42
AVPR1A P37288 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 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
SCHEMBL9011017 0.86 AVPR1A (0.47) ALDH1A1MEN1KMT2APTGDRPTGDR2
SCHEMBL7813359 0.86 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APTGDRPTGDR2
SCHEMBL7804350 0.85 AVPR1A (0.44) ALDH1A1MEN1KMT2APTGDRPTGDR2
SCHEMBL7817583 0.83 NPC1 (0.44) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL9010984 0.82 PTGDR (0.47) ALDH1A1MEN1KMT2APTGDRPTGDR2
SCHEMBL7813953 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APTGDRPTGDR2
SCHEMBL7817534 0.79 PTGDR (0.43) ALDH1A1MEN1KMT2APTGDRPTGDR2
SCHEMBL7813501 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACASP3NR1D1
SCHEMBL9011187 0.76 PTGDR (0.45) ALDH1A1MEN1KMT2APTGDRPTGDR2
SCHEMBL7804666 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APTGDRPTGDR2

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