SCHEMBL7946291

SCHEMBL7946291

COc1ccc(-c2c(S(C)(=O)=O)ccc(C(=O)O)c2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
USP28 Q96RU2 1/20 0.42
GPR35 Q9HC97 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7947427 0.86 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1GAARXFP1
SCHEMBL7951354 0.86 LMNA (0.43) SMN1; SMN2KDM4EALDH1A1FLT1FLT4
SCHEMBL7948238 0.84 LMNA (0.44) ALDH1A1FABP3FABP4HPGDACLY
SCHEMBL7946301 0.77 ACLY (0.44) SMN1; SMN2KDM4EALDH1A1MAPK1ACLY
SCHEMBL7951450 0.76 GAA (0.34) SMN1; SMN2KDM4EALDH1A1GAAUSP28
SCHEMBL7807426 0.74 LMNA (0.47) SMN1; SMN2ALDH1A1HPGDMAPK1MEN1
SCHEMBL8489045 0.73 AKR1C3 (0.50) SMN1; SMN2KDM4EALDH1A1GAAFABP4
SCHEMBL7948261 0.73 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EALDH1A1GAARXFP1
SCHEMBL27968855 0.73 FABP3 (0.57) SMN1; SMN2KDM4EALDH1A1GAARXFP1
SCHEMBL7949524 0.72 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1PRKAB2PRKAG1

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
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed