SCHEMBL9011192

SCHEMBL9011192

O=C(O)CCc1ccc(C2=CCN(C(=O)c3cccc4ccccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.47
AVPR1A P37288 1/20 0.46
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
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 2/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL9011160 0.89 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7813977 0.85 S1PR1 (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9011037 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7804666 0.82 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9011199 0.78 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7811365 0.78 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9011263 0.77 PTGDR (0.46) MEN1KMT2AALDH1A1KDM4EAVPR1A
SCHEMBL7813847 0.76 PPARG (0.55) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9011180 0.76 CCR5 (0.55) MEN1KMT2AALDH1A1KDM4EAVPR1A
SCHEMBL7811466 0.75 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT

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