SCHEMBL8773531

SCHEMBL8773531

CC(C(=S)c1ccccc1)C1CC(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.36
CREBBP Q92793 9/20 0.36
EP300 Q09472 1/20 0.36
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7028575 0.71 ITGB1 (0.42) MAPT
SCHEMBL7772078 0.71 ITGB1 (0.42) MAPT
SCHEMBL9835699 0.71 ALDH1A1 (0.32) NPC1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL9835693 0.71 ALDH1A1 (0.32) NPC1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL11177371 0.67 CHRNA7 (0.37) BRD4CREBBPEP300GAAALDH1A1
SCHEMBL8642950 0.66
SCHEMBL9836002 0.66
SCHEMBL5664608 0.66 ALDH1A1 (0.46) L3MBTL1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL8772405 0.65 EPHX1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL29084651 0.65 SLC6A2 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582291-B1 Process for preparing carbapenem derivatives TANABE SEIYAKU CO (JP) 1997-11-05 EP disclosed
US-5359059-A Cyclization of azetidinone compound with base and silylating agent TANABE SEIYAKU CO., LTD. (JP) 1994-10-25 US disclosed
EP-0582291-A1 Process for preparing carbapenem derivatives TANABE SEIYAKU CO., LTD. (JP) 1994-02-09 EP disclosed