SCHEMBL8442864

SCHEMBL8442864

O=C(CCc1ccccc1)CN1C(=O)CC1SCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.40
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
HSD17B2 P37059 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8441249 0.93 HMOX1 (0.41) POLBALDH1A1
SCHEMBL8441617 0.86 TP53 (0.46) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL8439560 0.85 HMOX1 (0.42) POLBALDH1A1
SCHEMBL8438972 0.84 MAPT (0.43) MAPT
SCHEMBL8441214 0.82 HCRTR1 (0.43) KMT2A
SCHEMBL8443320 0.81 ACE (0.42) POLBMAPT
SCHEMBL8104130 0.81 POLB (0.41) POLBTSHRALDH1A1
SCHEMBL8443487 0.81 KMT2A (0.48) MEN1KMT2AGFERPOLBLMNA
SCHEMBL8438346 0.80 HMOX1 (0.42) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL8094868 0.80 HMOX1 (0.42) ALDH1A1

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
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US 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