SCHEMBL8554812

SCHEMBL8554812

O=C(COc1ccccc1)N[C@@H]1C(=O)N(C(O)C(=O)O)[C@@H]1SCC(=O)C1COC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.37
CASP3 P42574 2/20 0.36
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34

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
SCHEMBL8554815 1.00 POLB (0.39) POLBLMNATP53CASP3MEN1
SCHEMBL9487615 0.92 POLB (0.39) POLBLMNATP53CASP3MEN1
SCHEMBL9487619 0.92 POLB (0.39) POLBLMNATP53CASP3MEN1
SCHEMBL8559790 0.84 MEN1 (0.45) POLBLMNAMEN1CYP1A2KMT2A
SCHEMBL8559793 0.84 MEN1 (0.45) POLBLMNAMEN1CYP1A2KMT2A
SCHEMBL8553818 0.83 POLB (0.36) POLBLMNACASP3MEN1CYP1A2
SCHEMBL8553820 0.83 POLB (0.36) POLBLMNACASP3MEN1CYP1A2
SCHEMBL9256647 0.82 LMNA (0.37) POLBLMNATP53CASP3CYP1A2
SCHEMBL9256639 0.82 LMNA (0.37) POLBLMNATP53CASP3CYP1A2
SCHEMBL8014028 0.81 SMN1; SMN2 (0.43) POLBLMNATP53MEN1CYP1A2

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-0395219-B1 Cephalosporins and their homologues, process for their preparation and pharmaceutical compositions PFIZER (US) 1998-09-30 EP disclosed
US-5246926-A Bactericides BEECHAM GROUP P.L.C. (GB) 1993-09-21 US disclosed
EP-0395219-A2 Cephalosporins and their homologues, process for their preparation and pharmaceutical compositions Beecham Group p.l.c. (GB) 1990-10-31 EP disclosed