SCHEMBL6573412

SCHEMBL6573412

Cc1[nH]cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.57
HTT P42858 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ASPH Q12797 1/20 0.33
DAO P14920 1/20 0.32
TTR P02766 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PIN1 Q13526 1/20 0.31

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
SCHEMBL9473054 0.77 NOTUM (0.39) NOTUMGLRA3GLRBASPHDAO
SCHEMBL1082810 0.73 NOTUM (1.00) NOTUMHTTSMN1; SMN2DAOKDM4E
SCHEMBL2804501 0.71 NOTUM (0.65) NOTUMHTTSMN1; SMN2KDM4E
SCHEMBL21738239 0.70
SCHEMBL6256617 0.69 NOTUM (0.49) NOTUMTAS2R14ASPHKDM4E
SCHEMBL31748649 0.68 NOTUM (0.73) NOTUMHTTSMN1; SMN2DAOKDM4E
SCHEMBL17897636 0.67 P2RX7 (0.36) SMN1; SMN2KDM4E
SCHEMBL7685414 0.67 NOTUM (0.59) NOTUMHTTSMN1; SMN2
SCHEMBL27765397 0.65 KDM4E (0.45) NOTUMTAS2R14ALKBH5ASPHDAO
SCHEMBL420887 0.65 RXRA (0.46) NOTUMTAS2R14SMN1; SMN2

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-1490378-A1 SILICONATED PHENYL AMIDES DERIVATIVES USEFUL AS MICROBIOCIDE Syngenta Participations AG (CH) 2004-12-29 EP disclosed
EP-1480955-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2004-12-01 EP disclosed
WO-2003080628-A1 SILICONATED PHENYL AMIDES DERIVATIVES USEFUL AS MICROBIOCIDE SYNGENTA PARTICIPATIONS AG (CH) 2003-10-02 WO disclosed
WO-2003074491-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-09-12 WO disclosed