SCHEMBL10341877

SCHEMBL10341877

COC(=O)c1c(F)c(F)c(COC(=O)C(Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MRGPRX4 Q96LA9 7/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CFTR P13569 1/20 0.34
MAP2K1 Q02750 2/20 0.34

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
SCHEMBL10341808 0.92 MAPT (0.58) LMNAMAPTKMT2AMEN1TP53
SCHEMBL10341875 0.91 MAPT (0.54) LMNAMAPTKMT2AMEN1TP53
SCHEMBL10341988 0.91 KMT2A (0.55) LMNAMAPTKMT2AMEN1TP53
SCHEMBL10341800 0.89 MAPT (0.55) LMNAMAPTKMT2AMEN1TP53
SCHEMBL10341841 0.89 MAPT (0.58) LMNAMAPTKMT2AMEN1TP53
SCHEMBL10341812 0.86 MAPT (0.52) LMNAMAPTKMT2AMEN1TP53
SCHEMBL10868001 0.81 LMNA (0.42) LMNAMAPTKMT2AMEN1TP53
SCHEMBL11433007 0.81 MAPT (0.60) LMNAMAPTKMT2AMEN1TP53
SCHEMBL10955599 0.80 MAPT (0.66) LMNAMAPTKMT2AMEN1TP53
SCHEMBL10868003 0.79 MAPT (0.45) LMNAMAPTKMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181284-B1 AMINO ACID ESTERS SANDOZ AG (CH) 1990-02-07 EP disclosed
EP-0181284-A1 Amino acid esters SANDOZ AG (CH) 1986-05-14 EP disclosed