SCHEMBL8772405

SCHEMBL8772405

O=C1CC(C(SCc2ccccc2)C(=O)c2ccccc2)N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.40
MDM2 Q00987 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CRBN Q96SW2 2/20 0.38
DDB1 Q16531 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSD P07339 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL11875194 0.71 MDM2 (0.50) EPHX1MDM2PPARGPPARASMN1; SMN2
SCHEMBL11866750 0.68 MDM2 (0.50) EPHX1MDM2PPARGPPARASMN1; SMN2
SCHEMBL11177590 0.68 PPARG (0.50) EPHX1MDM2PPARGPPARASMN1; SMN2
SCHEMBL11769885 0.68 PPARG (0.54) EPHX1MDM2PPARGPPARASMN1; SMN2
SCHEMBL11279773 0.67 KCNA5 (0.40) SMN1; SMN2L3MBTL1LMNAKMT2AALDH1A1
SCHEMBL8373994 0.66 CRBN (0.51) CRBNDDB1SMN1; SMN2L3MBTL1LMNA
SCHEMBL11768677 0.66 MDM2 (0.47) EPHX1MDM2PPARGPPARASMN1; SMN2
SCHEMBL8773531 0.65 BRD4 (0.36) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27767630 0.65 MDM2 (0.46) EPHX1MDM2PPARGPPARASMN1; SMN2
SCHEMBL4779996 0.62 MAPT (0.46) EPHX1CRBNDDB1L3MBTL1ALDH1A1

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-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed