SCHEMBL9503911

SCHEMBL9503911

COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
PDK2 Q15119 1/20 0.55
PDK4 Q16654 1/20 0.55
CFTR P13569 1/20 0.55
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MYC P01106 1/20 0.43
P2RX1 P51575 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43

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
SCHEMBL422201 0.85 CFTR (0.69) CA12CA1CA2CA7CA9
SCHEMBL24407746 0.84 XDH (0.50) CA12CA1CA2CA7CA9
SCHEMBL9504837 0.83 MRGPRX4 (0.54) CA12CA1CA2CA7CA9
SCHEMBL23226553 0.82 CFTR (0.57) CA12CA1CA2CA7CA9
SCHEMBL4456195 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL29938467 0.82 PTPN7 (0.51) CFTRLMNAMAPTL3MBTL1RAB9A
SCHEMBL24749577 0.82 PTPN7 (0.51) CFTRLMNAMAPTL3MBTL1RAB9A
SCHEMBL24436789 0.80 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL31009332 0.80 HPGD (0.50) CFTRLMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL1782842 0.79 LMNA (0.69) CA1CA2LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281103-B1 PHENOXYCARBOXYLIC ACID COMPOUNDS AND HERBICIDE COMPRISING IT AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1993-06-23 EP disclosed
US-4845264-A PRE- AND POST-EMERGENCE FOR BROAD-LEAVED WEEDS TEIJIN LIMITED (JP) 1989-07-04 US disclosed
EP-0281103-A2 Phenoxycarboxylic acid compounds and herbicide comprising it as active ingredient TEIJIN LIMITED (JP) 1988-09-07 EP disclosed