SCHEMBL11247741

SCHEMBL11247741

CS(=O)(=O)OCCCCCCCCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
USP2 O75604 2/20 0.58
KDM4E B2RXH2 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
CA1 P00915 16/20 0.35
CA2 P00918 16/20 0.35
CA9 Q16790 15/20 0.35
CA12 O43570 5/20 0.35
CA7 P43166 5/20 0.35
CA14 Q9ULX7 5/20 0.35
CA3 P07451 4/20 0.35
CA4 P22748 4/20 0.35
CA6 P23280 4/20 0.35
CA5A P35218 4/20 0.35
CA5B Q9Y2D0 4/20 0.35
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL6938057 1.00 TSHR (0.58) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL7236428 1.00 TSHR (0.58) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL7236663 0.98 USP2 (0.60) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL2244078 0.95 TSHR (0.52) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL2929806 0.92 USP2 (0.56) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL22673043 0.89 TSHR (0.54) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL629205 0.87 KDM4E (0.47) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL629001 0.87 KDM4E (0.47) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL7220587 0.85 USP2 (0.54) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL629087 0.80 KDM4E (0.40) TSHRUSP2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4318914-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-03-09 US disclosed
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US disclosed
US-4305959-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1981-12-15 US disclosed
US-4205085-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-05-27 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed