SCHEMBL6502302

SCHEMBL6502302

CS(=O)(=O)OCCCCC=C(F)F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MMP9 P14780 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
CA1 P00915 16/20 0.32
CA2 P00918 16/20 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
SCHEMBL6503378 0.98 TSHR (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6506713 0.98 TSHR (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6501752 0.98 TSHR (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6503320 0.98 TSHR (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6512628 0.94 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7629012 0.86 USP2 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6589566 0.82 ALOX15 (0.60) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6191964 0.76 ALOX15 (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
Busulfan SCHEMBL4373 0.76 TSHR (1.00) KDM4EUSP2ALDH1A1LMNAMMP9
Busulfan SCHEMBL4764696 0.76 TSHR (1.00) KDM4EUSP2ALDH1A1LMNAMMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005026139-A1 NEMATICIDAL DIFLUOROALKENES BAYER CROPSCIENCE AG (DE) 2005-03-24 WO disclosed