SCHEMBL7817534

SCHEMBL7817534

O=C(O)CCC(Oc1ccccc1)C1=CCN(C(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 4/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.43
PTGER2 P43116 3/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AVPR1A P37288 1/20 0.41
LMNA P02545 1/20 0.39
NR1D1 P20393 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL7804350 0.90 AVPR1A (0.44) PTGDRPTGDR2PTGER2CYP2C9ALDH1A1
SCHEMBL9011187 0.84 PTGDR (0.45) PTGDRPTGDR2PTGER2CYP2C9ALDH1A1
SCHEMBL7811731 0.83 NPC1 (0.43) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL7813953 0.79 ALDH1A1 (0.45) PTGDRPTGDR2PTGER2CYP2C9ALDH1A1
SCHEMBL7811489 0.79 ALDH1A1 (0.45) PTGDRPTGDR2PTGER2CYP2C9ALDH1A1
SCHEMBL7813359 0.79 ALDH1A1 (0.47) PTGDRPTGDR2PTGER2CYP2C9ALDH1A1
SCHEMBL9010984 0.77 PTGDR (0.47) PTGDRPTGDR2PTGER2CYP2C9ALDH1A1
SCHEMBL7804342 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AAVPR1ALMNA
SCHEMBL7813977 0.75 S1PR1 (0.52) PTGDRPTGDR2PTGER2CYP2C9ALDH1A1
SCHEMBL7814080 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AAVPR1ALMNA

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