SCHEMBL8443663

SCHEMBL8443663

COc1ccc(CSC2CC(=O)N2CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LDHA P00338 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 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
SCHEMBL8441617 0.84 TP53 (0.46) ALDH1A1KMT2AMEN1
SCHEMBL8442219 0.84 CYP2C19 (0.40) PTGDR2KMT2ATSHRL3MBTL1
SCHEMBL8374671 0.84 CYP2C19 (0.40) PTGDR2KMT2ATSHRL3MBTL1
SCHEMBL8438654 0.84 CYP2C19 (0.40) PTGDR2KMT2ATSHRL3MBTL1
SCHEMBL8441054 0.83 PDPK1 (0.49) ALDH1A1PTGDR2KMT2AATM
SCHEMBL8300407 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL8443344 0.79 LMNA (0.46) ALDH1A1KMT2AMEN1LMNA
SCHEMBL8438716 0.79 MAPT (0.43) KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL8305671 0.76 SNCA (0.38) ALDH1A1PTGDR2KMT2AMEN1TSHR
SCHEMBL8440834 0.76 KMT2A (0.47) ALDH1A1KMT2AMEN1ATM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed