SCHEMBL5158937

SCHEMBL5158937

CC(C)(C)OC(=O)NCC(CO)c1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
SYK P43405 1/20 0.38
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
APLNR P35414 1/20 0.35
GRM2 Q14416 1/20 0.35
KDM4A O75164 1/20 0.35
EPAS1 Q99814 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL11306615 0.87 CTSS (0.45) SYKCTSSCTSKKDM4AKDM4E
SCHEMBL5742834 0.80 CTSK (0.50) SYKCTSSCTSKMEN1GAA
SCHEMBL4367633 0.80 SERPINE1 (0.39) SERPINE1TDP1SYKCTSSCTSK
SCHEMBL7825061 0.79 SYK (0.43) SERPINE1TDP1SYKCTSSCTSK
SCHEMBL7837084 0.79 SYK (0.43) SERPINE1TDP1SYKCTSSCTSK
SCHEMBL1241387 0.78 AAK1 (0.46) SERPINE1TDP1SYKCTSSCTSK
SCHEMBL25834163 0.77 S1PR3 (0.42) SERPINE1SYKMEN1KMT2ASLC6A3
SCHEMBL5662770 0.77 TSHR (0.41) CTSSCTSKMEN1KMT2AAAK1
SCHEMBL257247 0.77 RXFP1 (0.47) CTSSCTSKMEN1GAAKMT2A
SCHEMBL5693123 0.77 MCHR1 (0.42) SERPINE1MEN1KMT2AKDM4ELMNA

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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed