SCHEMBL11114587

SCHEMBL11114587

C[C@@H](OC(C)(C)C)[C@@H](C=O)[N]C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.43
ALDH1A1 P00352 3/20 0.41
HCAR2 Q8TDS4 1/20 0.38
SYK P43405 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 3/20 0.37
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8762963 0.84 CTSB (0.51) CTSBALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL27428409 0.80 CTSB (0.47) CTSBALDH1A1HCAR2SYKMAPK1
SCHEMBL9179158 0.78 ALDH1A1 (0.50) CTSBALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL11120017 0.76 CTSB (0.53) CTSBSYKKMT2ACTSKCTSL
SCHEMBL17903563 0.76 ALDH1A1 (0.50) CTSBALDH1A1HCAR2SYKMAPK1
SCHEMBL15249320 0.76 ALDH1A1 (0.50) CTSBALDH1A1HCAR2SYKMAPK1
SCHEMBL8393993 0.75 ALDH1A1 (0.56) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL8823895 0.74 CTSB (0.50) CTSBALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL15249319 0.73 ALDH1A1 (0.47) ALDH1A1SYKMAPK1L3MBTL1SLC6A2
SCHEMBL15250961 0.73 ALDH1A1 (0.47) ALDH1A1SYKMAPK1L3MBTL1SLC6A2

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
EP-0123950-A2 Intermediates for thymosin alpha 1 and desacetylthymosin alpha 1 F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-11-07 EP disclosed