SCHEMBL9201296

SCHEMBL9201296

COc1ccc(CS[C@H]2C[C@@H](C(=O)N(C)C)NC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
MMP1 P03956 3/20 0.40
MMP13 P45452 2/20 0.40
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
DAO P14920 1/20 0.36
GAA P10253 2/20 0.36
MMP9 P14780 1/20 0.35
IDO1 P14902 2/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9196923 1.00 CRBN (0.41) CRBNMMP1MMP13ALDH1A1SMN1; SMN2
SCHEMBL9201906 0.88 CRBN (0.37) CRBNMMP1MMP13ALDH1A1SMN1; SMN2
SCHEMBL9197046 0.87 MMP1 (0.43) CRBNMMP1MMP13ALDH1A1DAO
SCHEMBL9199499 0.80 FABP7 (0.47) MMP1MMP13MMP9
SCHEMBL8808078 0.79 CRBN (0.44) CRBNMMP1MMP13ALDH1A1DAO
SCHEMBL8808076 0.78 CRBN (0.43) CRBNMMP1MMP13ALDH1A1SMN1; SMN2
SCHEMBL9195547 0.74 IDO1 (0.43) CRBNMMP1MMP13ALDH1A1SMN1; SMN2
SCHEMBL9204340 0.74 FFAR1 (0.37) CRBNALDH1A1SMN1; SMN2IDO1HTT
SCHEMBL8810304 0.72 CRBN (0.37) CRBNMMP1MMP13ALDH1A1SMN1; SMN2
SCHEMBL9200198 0.71 ALOX5 (0.38) ALDH1A1SMN1; SMN2DAOIDO1HTT

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-0406863-B1 Cyclic amidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 1995-05-24 EP disclosed
US-5100888-A Bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-31 US disclosed
EP-0406863-A1 Cyclic amidinylthiocarbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-01-09 EP disclosed