SCHEMBL8489494

SCHEMBL8489494

CC(=O)O[C@H]1C(=O)N[C@H]1c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 7/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TNKS2 Q9H2K2 1/20 0.33
CCR1 P32246 1/20 0.33
FPR2 P25090 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2112155 0.85 POLB (0.46) MAPTALDH1A1GAALMNAPOLB
SCHEMBL2112157 0.85 POLB (0.46) MAPTALDH1A1GAALMNAPOLB
SCHEMBL5516078 0.85 POLB (0.46) MAPTALDH1A1GAALMNAPOLB
SCHEMBL2112154 0.85 POLB (0.46) MAPTALDH1A1GAALMNAPOLB
SCHEMBL8428288 0.77 PKM (0.41) ALDH1A1GAALMNAPOLBSMN1; SMN2
SCHEMBL7458765 0.71 ALDH1A1 (0.46) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8314886 0.71 ALDH1A1 (0.46) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL4180042 0.71 POLB (0.49) ALDH1A1GAALMNAPOLBSMN1; SMN2
SCHEMBL4180046 0.71 POLB (0.49) ALDH1A1GAALMNAPOLBSMN1; SMN2
SCHEMBL4180039 0.71 POLB (0.49) ALDH1A1GAALMNAPOLBSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008347-A N-substituted 2-azetidinones BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-28 US disclosed
US-5412092-A N-substituted 2-azetidinones BRISTOL-MYERS SQUIBB COMPANY (US) 1995-05-02 US disclosed
EP-0627418-A1 N-subtituted 2-azetidinones and processes for the production of N-unsubstituted 2-azetidinones therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-07 EP disclosed