SCHEMBL7795304

SCHEMBL7795304

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N(CCCO)CCCO)C(O)C(C)O1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 7/20 0.81
PAX8 Q06710 5/20 0.81
HSP90AA1 P07900 4/20 0.81
MEN1 O00255 9/20 0.75
THRB P10828 9/20 0.75
KMT2A Q03164 9/20 0.75
BLM P54132 8/20 0.75
RECQL P46063 7/20 0.75
BRCA1 P38398 6/20 0.75
SMN1; SMN2 Q16637 6/20 0.75
HIF1A Q16665 6/20 0.75
TDP1 Q9NUW8 6/20 0.75
MAPT P10636 6/20 0.75
CYP3A4 P08684 4/20 0.75
USP2 O75604 4/20 0.75
MAPK1 P28482 4/20 0.75
TOP2A P11388 4/20 0.75
HTT P42858 4/20 0.75
CHRM1 P11229 3/20 0.75
TBXA2R P21731 3/20 0.75

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
SCHEMBL7805227 0.96 S100A4 (0.83) S100A4PAX8HSP90AA1MEN1THRB
Hydrochloric Acid SCHEMBL11222593 0.94 S100A4 (0.80) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL7801035 0.93 S100A4 (0.83) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL10610031 0.91 S100A4 (0.77) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL25015224 0.90 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL162675 0.90 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL7805182 0.90 S100A4 (0.86) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL27337885 0.90 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL30260668 0.90 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL8639928 0.90 S100A4 (1.00) S100A4PAX8HSP90AA1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3153552-B2 2001-04-09 JP claimed
WO-1993001201-A1 MONO AND BIS ALKYLAMINO-ANTHRACYCLINES FARMITALIA CARLO ERBA S.R.L. (IT) 1993-01-21 WO claimed
EP-0521458-A1 Mono and bis alkylamino-anthracyclines PHARMACIA S.p.A. (IT) 1993-01-07 EP claimed
US-5496808-A ANTITUMOR AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-05 US disclosed
WO-1993001201-A1 MONO AND BIS ALKYLAMINO-ANTHRACYCLINES FARMITALIA CARLO ERBA S.R.L. (IT) 1993-01-21 WO disclosed
EP-0521458-A1 Mono and bis alkylamino-anthracyclines PHARMACIA S.p.A. (IT) 1993-01-07 EP disclosed