SCHEMBL9011029

SCHEMBL9011029

O=C(O)CCc1cccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 1/20 0.56
HIF1A Q16665 1/20 0.56
AVPR1A P37288 1/20 0.53
USP2 O75604 2/20 0.52
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
TGM2 P21980 1/20 0.47

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
SCHEMBL9011047 0.94 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL9011199 0.89 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL9011213 0.89 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL9011169 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL27295608 0.83 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7804363 0.83 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7813512 0.83 MAPT (0.55) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL9011100 0.82 LMNA (0.70) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL9011116 0.81 CCR5 (0.53) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7813835 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4EHIF1A

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