SCHEMBL8439628

SCHEMBL8439628

C=CCCC(=O)Oc1ccc(CSC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.39
PTGS1 P23219 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 2/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
RAB9A P51151 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 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
SCHEMBL21994120 0.79 THRB (0.45) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL20095263 0.78 KMT2A (0.43) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL29034769 0.77 KMT2A (0.55) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL27367109 0.77 KMT2A (0.54) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL14611612 0.77 LMNA (0.52) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL11336269 0.74 KMT2A (0.47) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL29034906 0.74 KMT2A (0.46) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL15567082 0.74 KMT2A (0.46) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL11362243 0.74 KMT2A (0.53) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL114036 0.74 PRSS1 (0.46) KMT2AALDH1A1LMNAHTTMAPT

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-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