SCHEMBL28098985

SCHEMBL28098985

CS(=O)(=O)OCCCCCCSC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MMP9 P14780 1/20 0.56
ALOX15 P16050 1/20 0.56
CA1 P00915 16/20 0.34
CA2 P00918 16/20 0.34
CA9 Q16790 15/20 0.34
CA12 O43570 5/20 0.34
CA7 P43166 5/20 0.34
CA14 Q9ULX7 5/20 0.34
CA3 P07451 4/20 0.34
CA4 P22748 4/20 0.34
CA6 P23280 4/20 0.34
CA5A P35218 4/20 0.34
CA5B Q9Y2D0 4/20 0.34
RECQL P46063 2/20 0.32
GLA P06280 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
SCHEMBL28099123 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1957438 0.84 USP2 (0.46) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL2396857 0.83 TSHR (0.58) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL28098989 0.81 CA2 (0.35) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL28099121 0.81 CA2 (0.35) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1931795 0.77 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4952202 0.77 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4300371 0.77 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4954793 0.77 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1335477 0.77 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980354-B The manufacture method and its intermediate of pest control agent 组合化学工业株式会社 2018-04-13 CN disclosed
CN-105980354-A Method for producing harmful-organism control agent, and intermediate thereof 庵原化学工业株式会社 2016-09-28 CN disclosed