SCHEMBL7817501

SCHEMBL7817501

O=C(O)COc1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HIF1A Q16665 1/20 0.57
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HTT P42858 1/20 0.54
USP2 O75604 2/20 0.53
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
METAP1 P53582 1/20 0.52
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL7813835 0.90 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7804694 0.89 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7804346 0.89 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL3579223 0.86 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL29748738 0.86 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL27295608 0.84 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL29748590 0.83 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL9011065 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7817573 0.82 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL13437969 0.82 GCGR (0.67) ALDH1A1MEN1KMT2AKDM4EMAPT

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