SCHEMBL8440478

SCHEMBL8440478

CCOC(=O)c1ccc(C[S+]([O-])[C@@H]2CC(=O)N2CC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
MAPK1 P28482 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 5/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 1/20 0.39
FDFT1 P37268 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
SCHEMBL8772501 0.81 KMT2A (0.44) ALDH1A1TSHRSMN1; SMN2POLBMEN1
SCHEMBL8440760 0.80 SMN1; SMN2 (0.39) ALDH1A1MAPK1HSP90AA1TSHRSMN1; SMN2
SCHEMBL8439022 0.79 MAPT (0.42) ALDH1A1HSP90AA1TSHRPOLBMEN1
SCHEMBL8442899 0.78 FDFT1 (0.41) ALDH1A1MAPK1HSP90AA1TSHRSMN1; SMN2
SCHEMBL8373704 0.77 MAPT (0.40) ALDH1A1HSP90AA1TSHRPOLBMEN1
SCHEMBL8375752 0.77 POLB (0.39) ALDH1A1MAPK1HSP90AA1TSHRSMN1; SMN2
SCHEMBL8554624 0.77 MAPT (0.39) ALDH1A1HSP90AA1POLBMEN1KMT2A
SCHEMBL8300407 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1HSP90AA1TSHRSMN1; SMN2
SCHEMBL8377486 0.76 ALDH1A1 (0.37) ALDH1A1HSP90AA1TSHRMEN1KMT2A
SCHEMBL8772387 0.69 HMOX1 (0.40) ALDH1A1SMN1; SMN2POLB

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-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
EP-0869943-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-10-14 EP disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
WO-1997021675-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed