SCHEMBL6598502

SCHEMBL6598502

Cc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.77
ESR1 P03372 7/20 0.53
ESR2 Q92731 7/20 0.53
MEN1 O00255 1/20 0.51
PLD2 O14939 1/20 0.51
KDM1A O60341 1/20 0.51
NR1I2 O75469 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
C5 P01031 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
FYN P06241 1/20 0.51
PGR P06401 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL6597695 1.00 F2 (0.77) F2ESR1ESR2MEN1PLD2
SCHEMBL6598179 0.91 F2 (0.72) F2ESR1ESR2MEN1PLD2
SCHEMBL6598173 0.91 F2 (0.72) F2ESR1ESR2MEN1PLD2
SCHEMBL6597495 0.89 F2 (0.80) F2ESR1ESR2
SCHEMBL6595470 0.88 F2 (0.77) F2ESR1ESR2
SCHEMBL6592429 0.88 F2 (1.00) F2ESR1ESR2
Oxalic Acid SCHEMBL7413790 0.85 F2 (0.77) F2ESR1ESR2MEN1PLD2
SCHEMBL6598137 0.85 F2 (0.61) F2ESR1ESR2
SCHEMBL6598135 0.85 F2 (0.61) F2ESR1ESR2
Oxalic Acid SCHEMBL7413137 0.84 F2 (0.76) F2ESR1ESR2

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

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