SCHEMBL6593902

SCHEMBL6593902

COc1cc(C(=O)c2c(-c3ccc(CCN4CCC[C@H]4C(=O)OC(C)(C)C)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.55
ESR1 P03372 10/20 0.51
ESR2 Q92731 10/20 0.51
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.45
PLD2 O14939 1/20 0.45
KDM1A O60341 1/20 0.45
NR1I2 O75469 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
C5 P01031 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
FYN P06241 1/20 0.45
PGR P06401 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL6593896 1.00 F2 (0.55) F2ESR1ESR2HDAC1HDAC6
SCHEMBL7323038 0.91 F2 (0.59) F2ESR1ESR2HDAC1HDAC6
SCHEMBL7323044 0.91 F2 (0.59) F2ESR1ESR2HDAC1HDAC6
SCHEMBL6598716 0.91 ESR1 (0.59) F2ESR1ESR2MEN1PLD2
SCHEMBL6598724 0.91 ESR1 (0.59) F2ESR1ESR2MEN1PLD2
SCHEMBL6596619 0.90 ESR1 (0.47) F2ESR1ESR2HDAC1HDAC6
SCHEMBL6596616 0.90 ESR1 (0.47) F2ESR1ESR2HDAC1HDAC6
SCHEMBL6597107 0.86 F2 (0.53) F2ESR1ESR2MEN1PLD2
SCHEMBL6597103 0.86 F2 (0.53) F2ESR1ESR2MEN1PLD2
SCHEMBL6597230 0.86 F2 (0.73) F2ESR1ESR2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980366-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US disclosed