SCHEMBL4461545

SCHEMBL4461545

CC(C)(C)N(C(=O)O)c1ccc(OC(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.42
ADAM17 P78536 1/20 0.42
MAPT P10636 4/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 6/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TEAD4 Q15561 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 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
SCHEMBL28300555 0.85 KMT2A (0.51) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL2117365 0.80 SMN1; SMN2 (0.47) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL519443 0.79 MAPT (0.37) ALDH1A1ALOX15GFERADAM17MAPT
SCHEMBL4556627 0.78 ALOX15 (0.38) ALDH1A1ALOX15GFERADAM17MAPT
SCHEMBL5480662 0.75 RECQL (0.41) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL6305678 0.74 ALDH1A1 (0.47) ALDH1A1ALOX15GFERADAM17MAPT
SCHEMBL1530165 0.73 ESR1 (0.39) ALDH1A1MAPTTSHRLMNAHTT
SCHEMBL7034982 0.73 KMT2A (0.47) ALDH1A1ALOX15MAPTTSHRSMN1; SMN2
SCHEMBL2497436 0.73 EPHX2 (0.44) ALDH1A1LMNAHTT
SCHEMBL2472803 0.72 MEN1 (0.43) ALDH1A1ALOX15MAPTTSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009144632-A1 NOVEL COMPOUNDS PFIZER LIMITED (GB) 2009-12-03 WO disclosed