SCHEMBL8764653

SCHEMBL8764653

CCOc1cc(C(F)(F)F)ccc1S(=O)(=O)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.57
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL24313913 0.88 CYP1A2 (0.51) TRPV4CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL6682849 0.83 TRPV4 (0.60) TRPV4CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL31494541 0.83 TRPV4 (0.60) TRPV4CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL5406327 0.80 TRPV4 (0.61) TRPV4CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL10183556 0.78 CYP2C19 (0.49) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL25045969 0.78 TRPV4 (0.63) TRPV4L3MBTL1MAPTLMNAATM
SCHEMBL16469895 0.76 TRPV4 (0.61) TRPV4MAPTHPGDLMNAALDH1A1
SCHEMBL29587888 0.76 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL24314195 0.76 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL25362679 0.75 MCL1 (0.51) TRPV4CYP1A2CYP2C19L3MBTL1MAPT

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