SCHEMBL20031439

SCHEMBL20031439

COC(C)C(=O)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.43
TMPRSS4 Q9NRS4 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PAX8 Q06710 1/20 0.39
TRPA1 O75762 2/20 0.39
ABL1 P00519 1/20 0.39
GRIK1 P39086 1/20 0.39
GAA P10253 2/20 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
SCHEMBL21725656 0.84 RAB9A (0.47) RAB9ATP53MAPTSMN1; SMN2HTT
SCHEMBL2798818 0.78 ABL1 (0.58) RAB9ATP53MAPTSMN1; SMN2HTT
SCHEMBL22180673 0.78 RAB9A (0.43) RAB9ATP53MAPTSMN1; SMN2HTT
SCHEMBL22924533 0.78 RAB9A (0.50) RAB9ATP53MAPTSMN1; SMN2HTT
SCHEMBL26020304 0.77 NPSR1 (0.42) RAB9ATP53MAPTSMN1; SMN2HTT
SCHEMBL22163772 0.76 LMNA (0.44) RAB9ATP53MAPTSMN1; SMN2HTT
SCHEMBL31591114 0.76 RAB9A (0.50) RAB9ATP53MAPTSMN1; SMN2HTT
SCHEMBL7779187 0.76 RAB9A (0.50) RAB9ATP53MAPTSMN1; SMN2HTT
SCHEMBL28462798 0.76 RAB9A (0.50) RAB9ATP53MAPTSMN1; SMN2HTT
SCHEMBL427243 0.76 SMN1; SMN2 (0.59) RAB9ATP53MAPTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018060088-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES AS FUNGICIIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed