SCHEMBL6589566

SCHEMBL6589566

CC(C)=CCCCCOS(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.60
KDM4E B2RXH2 1/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MMP9 P14780 1/20 0.60
TSHR P16473 1/20 0.60
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
CA9 Q16790 7/20 0.33
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL6191964 0.94 ALOX15 (0.56) ALOX15KDM4EUSP2ALDH1A1LMNA
SCHEMBL6502302 0.82 KDM4E (0.58) ALOX15KDM4EUSP2ALDH1A1LMNA
SCHEMBL6506713 0.81 TSHR (0.56) ALOX15KDM4EUSP2ALDH1A1LMNA
SCHEMBL6503320 0.81 TSHR (0.56) ALOX15KDM4EUSP2ALDH1A1LMNA
SCHEMBL6501752 0.81 TSHR (0.56) ALOX15KDM4EUSP2ALDH1A1LMNA
SCHEMBL6503378 0.81 TSHR (0.56) ALOX15KDM4EUSP2ALDH1A1LMNA
SCHEMBL15789606 0.79 KMT2A (0.55) ALOX15KDM4EUSP2ALDH1A1LMNA
SCHEMBL16451626 0.79 KMT2A (0.55) ALOX15KDM4EUSP2ALDH1A1LMNA
SCHEMBL16444883 0.79 KMT2A (0.55) ALOX15KDM4EUSP2ALDH1A1LMNA
SCHEMBL16444884 0.79 KMT2A (0.55) ALOX15KDM4EUSP2ALDH1A1LMNA

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-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed