SCHEMBL8442899

SCHEMBL8442899

CCOC(=O)c1ccc(C[S+]([O-])C2CN(CC(=O)O)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 7/20 0.40
HTT P42858 4/20 0.40
HSP90AA1 P07900 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL8772506 0.81 KMT2A (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL8440478 0.78 ALDH1A1 (0.41) FDFT1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8440760 0.77 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2ALDH1A1HTTHSP90AA1
Acetic Acid SCHEMBL29697257 0.66 CA1 (0.73) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL481332 0.65 CA1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL128190 0.65 CA1 (0.70) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
Benzene SCHEMBL27873122 0.64 CA1 (0.76) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL87450 0.64 CA1 (0.83) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL10669311 0.64 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL31421740 0.64 CA1 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1HTT

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-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed