SCHEMBL6984597

SCHEMBL6984597

CC(C)(C)OC(=O)c1c(F)cccc1OC(=O)CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
EPHX2 P34913 1/20 0.37
SLC7A5 Q01650 1/20 0.37
GRM6 O15303 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.34
BDKRB1 P46663 1/20 0.34
NR3C2 P08235 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL6981189 0.84 SLC7A5 (0.37) KMT2AEPHX2SLC7A5GRM6ALDH1A1
SCHEMBL6984974 0.82 SLC6A3 (0.40) KMT2AEPHX2SLC7A5ALDH1A1LMNA
SCHEMBL6981261 0.81 SLC7A5 (0.37) KMT2AEPHX2SLC7A5NR3C2MAPT
SCHEMBL6984281 0.81 SMN1; SMN2 (0.36) EPHX2SLC7A5GRM6ALDH1A1SMN1; SMN2
SCHEMBL17374993 0.80 KMT2A (0.49) KMT2AGRM6CES2CES1ALDH1A1
Hydrochloric Acid SCHEMBL30822606 0.79 KMT2A (0.48) KMT2AGRM6CES2CES1ALDH1A1
SCHEMBL6723581 0.77 ELANE (0.44) KMT2ASLC7A5ALDH1A1LMNAMAPT
SCHEMBL6977356 0.77 MRGPRX1 (0.35) EPHX2SLC7A5GRM6ALDH1A1LMNA
SCHEMBL6984283 0.77 SLC7A5 (0.38) KMT2AEPHX2SLC7A5GRM6ALDH1A1
SCHEMBL6985172 0.76 AR (0.36) KMT2AEPHX2SLC7A5KDM4E

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-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed