SCHEMBL8333315

SCHEMBL8333315

COC(=O)c1cc(C(F)(F)F)c(OC)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
CFTR P13569 2/20 0.46
MAPT P10636 5/20 0.44
NOTUM Q6P988 3/20 0.44
LMNA P02545 5/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8102763 0.85 CFTR (0.49) GAACFTRMAPTNOTUMLMNA
SCHEMBL7086639 0.83 GAA (0.47) GAACFTRMAPTNOTUMLMNA
SCHEMBL2476221 0.80 GAA (0.62) GAAMAPTLMNAHTTKDM4E
SCHEMBL8428710 0.79 MAPT (0.40) GAAMAPTLMNAHTTMEN1
SCHEMBL7953912 0.79 MRGPRX4 (0.56) NOTUMLMNAKDM4EMRGPRX4HPGD
SCHEMBL5107602 0.79 GAA (0.53) GAAMAPTLMNAHTTKDM4E
SCHEMBL8428714 0.79 SLC9A1 (0.51)
Hydrochloric Acid SCHEMBL8335173 0.78 MAPT (0.40) GAAMAPTLMNAHTTMEN1
SCHEMBL17110481 0.78 NOTUM (0.55) GAACFTRMAPTNOTUMLMNA
SCHEMBL17110455 0.78 CFTR (0.56) GAACFTRMAPTNOTUMKDM4E

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
US-5856574-A ANTIISCHEMIC AGENTS; ANTIARRTHYMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 US disclosed