SCHEMBL9258331

SCHEMBL9258331

CC(C)(C)C#CCCCOS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CA1 P00915 17/20 0.32
CA2 P00918 17/20 0.32
CA9 Q16790 15/20 0.32
CA12 O43570 5/20 0.31
CA7 P43166 5/20 0.31
CA14 Q9ULX7 5/20 0.31
CA3 P07451 4/20 0.31
CA4 P22748 4/20 0.31
CA6 P23280 4/20 0.31
CA5A P35218 4/20 0.31
CA5B Q9Y2D0 4/20 0.31

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
SCHEMBL10989515 0.76 TSHR (0.56) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL10223459 0.75 KDM4E (0.37) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL789504 0.73 KDM4E (0.52) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL20365425 0.73 LMNA (0.38) LMNA
SCHEMBL313345 0.71 USP2 (0.61) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL9500520 0.71 TSHR (0.61) LMNAKDM4EUSP2ALDH1A1MMP9
Busulfan SCHEMBL4373 0.71 TSHR (1.00) LMNAKDM4EUSP2ALDH1A1MMP9
Busulfan SCHEMBL4764696 0.71 TSHR (1.00) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL576408 0.71 TSHR (0.88) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL10727268 0.71 TSHR (0.60) LMNAKDM4EUSP2ALDH1A1MMP9

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-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed