SCHEMBL8764071

SCHEMBL8764071

CCOc1cccc(C(F)(F)F)c1S(=O)(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.40
AR P10275 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CTSS P25774 1/20 0.36
TRPA1 O75762 1/20 0.36
PDK2 Q15119 1/20 0.36
GRM5 P41594 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6676444 0.85 PIM1 (0.39) KCNK3KCNK9KMT2ARXRARXRB
SCHEMBL6630905 0.83 NFE2L2 (0.42) ARTRPV4KMT2A
SCHEMBL4394385 0.82 SLC22A12 (0.36) KCNK3KCNK9L3MBTL1TRPV4KMT2A
SCHEMBL29431092 0.82 SLC22A12 (0.36) KCNK3KCNK9L3MBTL1TRPV4KMT2A
SCHEMBL31037153 0.81 SLC22A12 (0.35) RXRARXRBRXRGMRGPRX4
SCHEMBL8854431 0.80 KCNK3 (0.39) KCNK3KCNK9L3MBTL1ARHPGD
SCHEMBL3606545 0.79 KCNK3 (0.40) KCNK3KCNK9L3MBTL1ARALDH1A1
SCHEMBL27483441 0.79 KCNK3 (0.38) KCNK3KCNK9L3MBTL1ARALDH1A1
SCHEMBL9069065 0.78 TRPV4 (0.41) ALDH1A1TRPV4HSD17B10HPGDKDM4E
SCHEMBL5410962 0.78 ALDH1A1 (0.41) L3MBTL1ALDH1A1TRPV4HSD17B10KDM4E

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-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP disclosed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 US disclosed
US-5272128-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1993-12-21 US disclosed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 EP disclosed