SCHEMBL8489244

SCHEMBL8489244

CC(C)Oc1c(S(C)(=O)=O)ccc(C(=O)Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
BCAT2 O15382 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL9174235 0.83 L3MBTL1 (0.38) ALDH1A1MAPTHPGD
SCHEMBL8488732 0.82 MAPK8 (0.35) CXCR5ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8488369 0.79 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL6101293 0.77 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL27316212 0.77 THRB (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL8491943 0.77 LMNA (0.31)
SCHEMBL8887981 0.77 RAB9A (0.33) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8488844 0.77 NPC1 (0.40) ALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL8491947 0.76 GPR119 (0.32) CXCR5CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL27299142 0.75 RORC (0.34) CXCR5ALDH1A1MAPK8MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066439-C Method for prepn. of isoxazoles herbicides RHONE POULENC AGROCHIMIE (GB) 2001-05-30 CN disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
CN-1141294-A Method for prepn. of isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1997-01-29 CN disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
CN-1050188-A ISOXAZOLES HERBICIDES RHONE POULENC AGRICULTURE (GB) 1991-03-27 CN disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed