SCHEMBL8766854

SCHEMBL8766854

CCCCCCSC1CC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR84 Q9NQS5 8/20 0.34
HLCS P50747 1/20 0.34
ALOX5 P09917 2/20 0.33
G6PD P11413 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
PTGIR P43119 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
SCHEMBL8110089 0.92 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9657952 0.76 CRBN (0.35) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL24756756 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL10489330 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL10794652 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL8767797 0.72 ITGB1 (0.38) ALDH1A1
SCHEMBL8094790 0.72
SCHEMBL18888757 0.71 NPC1 (0.41) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL28660448 0.71 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL28660449 0.71 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO disclosed
US-4353825-A 5,6-Dehydropenicillins SNAMPROGETTI, S.P.A. (IT) 1982-10-12 US disclosed
US-4353825-A 5,6-Dehydropenicillins SNAMPROGETTI, S.P.A. (IT) 1982-10-12 US disclosed
US-4288366-A Method of preparation of 5,6-dehydropenicillins SNAMPROGETTI, S.P.A. (CH) 1981-09-08 US disclosed
US-4288366-A Method of preparation of 5,6-dehydropenicillins SNAMPROGETTI, S.P.A. (CH) 1981-09-08 US disclosed
US-4133807-A 4-Thioxo-2-azetidinones SNAMPROGETTI, S.P.A. (IT) 1979-01-09 US disclosed
US-4133807-A 4-Thioxo-2-azetidinones SNAMPROGETTI, S.P.A. (IT) 1979-01-09 US disclosed