SCHEMBL7858587

SCHEMBL7858587

CSC(=S)OC(c1ccccc1)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.33
PARP1 P09874 1/20 0.33
ABCB1 P08183 1/20 0.32
HTRA1 Q92743 1/20 0.32
TACR1 P25103 3/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
MCL1 Q07820 2/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL7862941 0.87 ABCB1 (0.32) ABCB1
SCHEMBL9096789 0.87 PARP1 (0.35) UCHL1PARP1MEN1KMT2A
SCHEMBL7852779 0.83 KLK7 (0.33) ABCB1
SCHEMBL7858621 0.83 PARP1 (0.31) PARP1ABCB1
SCHEMBL7859048 0.82 HTRA1 (0.38) UCHL1PARP1ABCB1HTRA1TACR1
SCHEMBL6404153 0.82 HTRA1 (0.38) UCHL1PARP1ABCB1HTRA1TACR1
SCHEMBL9027081 0.75
SCHEMBL7859737 0.74 MCL1 (0.35) ABCB1MCL1BCL2BCL2L1
SCHEMBL7859867 0.74 GPR119 (0.33) ABCB1
SCHEMBL143486 0.74 USP30 (0.32) UCHL1PARP1ABCB1HTRA1MCL1

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-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed