SCHEMBL8727825

SCHEMBL8727825

COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1OP(=O)(O)S

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.80
LMNA P02545 6/20 0.80
GAA P10253 5/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
TOP2A P11388 5/20 0.80
TOP2B Q02880 4/20 0.80
HIF1A Q16665 4/20 0.80
CYP2C9 P11712 3/20 0.80
CYP2C19 P33261 3/20 0.80
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
NCOA3 Q9Y6Q9 2/20 0.80
HSD17B10 Q99714 2/20 0.80
CYP1A2 P05177 1/20 0.80
CYP2D6 P10635 1/20 0.80
NCOA1 Q15788 1/20 0.80
SLCO1B3 Q9NPD5 1/20 0.80
ATM Q13315 1/20 0.61
USP2 O75604 1/20 0.61
ABCC3 O15438 1/20 0.61

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
Etoposide Phosphate SCHEMBL13524290 0.95 CYP3A4 (0.83) CYP3A4LMNAGAASMN1; SMN2TOP2A
Etoposide Phosphate SCHEMBL29564759 0.95 CYP3A4 (0.83) CYP3A4LMNAGAASMN1; SMN2TOP2A
Etoposide Phosphate SCHEMBL15118344 0.95 CYP3A4 (0.83) CYP3A4LMNAGAASMN1; SMN2TOP2A
Etoposide Phosphate SCHEMBL1649994 0.95 CYP3A4 (0.83) CYP3A4LMNAGAASMN1; SMN2TOP2A
Etoposide Phosphate SCHEMBL3621 0.95 CYP3A4 (0.83) CYP3A4LMNAGAASMN1; SMN2TOP2A
Etoposide Phosphate SCHEMBL13318053 0.95 CYP3A4 (0.83) CYP3A4LMNAGAASMN1; SMN2TOP2A
SCHEMBL15395274 0.94 CYP3A4 (0.81) CYP3A4LMNAGAASMN1; SMN2TOP2A
Etoposide Phosphate SCHEMBL29711333 0.93 CYP3A4 (0.81) CYP3A4LMNAGAASMN1; SMN2TOP2A
Etoposide Phosphate SCHEMBL1418871 0.93 CYP3A4 (0.81) CYP3A4LMNAGAASMN1; SMN2TOP2A
SCHEMBL13529268 0.93 CYP3A4 (0.81) CYP3A4LMNAGAASMN1; SMN2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540859-B1 Anthracycline prodrugs BRISTOL MYERS SQUIBB CO (US) 1998-01-14 EP disclosed
EP-0302473-B1 Antibody-enzyme conjugates in combination with prodrugs for the delivery of cytotoxic agents to tumor cells BRISTOL MYERS SQUIBB CO (US) 1995-02-15 EP disclosed
EP-0540859-A1 Anthracycline prodrugs Bristol-Myers Squibb Company (US) 1993-05-12 EP disclosed
US-4975278-A Converting the prodrug at the tumor site to the active drug by means of the conjugate bound to a tumor surface antigen BRISTOL-MYERS COMPANY (US) 1990-12-04 US disclosed
EP-0302473-A2 Antibody-enzyme conjugates in combination with prodrugs for the delivery of cytotoxic agents to tumor cells Bristol-Myers Squibb Company (US) 1989-02-08 EP disclosed