SCHEMBL9011187

SCHEMBL9011187

O=C(O)CCC(C1=CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 4/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.45
PTGER2 P43116 3/20 0.45
CYP2C9 P11712 1/20 0.45
AVPR1A P37288 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TGM2 P21980 1/20 0.40
USP2 O75604 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
SCHEMBL9010984 0.89 PTGDR (0.47) PTGDRPTGDR2PTGER2CYP2C9AVPR1A
SCHEMBL7817534 0.84 PTGDR (0.43) PTGDRPTGDR2PTGER2CYP2C9AVPR1A
SCHEMBL9011053 0.78 AVPR1A (0.47) PTGDRPTGDR2PTGER2CYP2C9AVPR1A
SCHEMBL9011017 0.78 AVPR1A (0.47) PTGDRPTGDR2PTGER2CYP2C9AVPR1A
SCHEMBL9011127 0.77 AVPR1A (0.49) PTGDRPTGDR2PTGER2CYP2C9AVPR1A
SCHEMBL7804350 0.77 AVPR1A (0.44) PTGDRPTGDR2PTGER2CYP2C9AVPR1A
SCHEMBL7811489 0.76 ALDH1A1 (0.45) PTGDRPTGDR2PTGER2CYP2C9AVPR1A
SCHEMBL7813953 0.76 ALDH1A1 (0.45) PTGDRPTGDR2PTGER2CYP2C9AVPR1A
SCHEMBL7813359 0.76 ALDH1A1 (0.47) PTGDRPTGDR2PTGER2CYP2C9AVPR1A
SCHEMBL9011164 0.76 ALDH1A1 (0.51) AVPR1AALDH1A1KDM4ETP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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