SCHEMBL7414713

SCHEMBL7414713

COc1cc(C(=O)c2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)ccc1CC#N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.73
ESR2 Q92731 19/20 0.73
F2 P00734 1/20 0.64
MEN1 O00255 1/20 0.56
PLD2 O14939 1/20 0.56
KDM1A O60341 1/20 0.56
NR1I2 O75469 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
C5 P01031 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
FYN P06241 1/20 0.56
PGR P06401 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
Oxalic Acid SCHEMBL7411202 0.98 ESR1 (0.70) ESR1ESR2F2
SCHEMBL6174326 0.87 ESR1 (0.77) ESR1ESR2F2MEN1PLD2
SCHEMBL7768296 0.86 ESR1 (0.71) ESR1ESR2F2
SCHEMBL4651940 0.86 ESR1 (0.98) ESR1ESR2F2CNR1
SCHEMBL7409821 0.86 ESR1 (0.98) ESR1ESR2F2CNR1
SCHEMBL6595006 0.85 ESR1 (1.00) ESR1ESR2F2MEN1PLD2
SCHEMBL4650742 0.85 ESR1 (1.00) ESR1ESR2F2MEN1PLD2
SCHEMBL6595547 0.84 ESR1 (0.92) ESR1ESR2F2MEN1PLD2
SCHEMBL6595743 0.84 ESR1 (0.94) ESR1ESR2F2MEN1PLD2
SCHEMBL6597972 0.84 ESR1 (0.94) ESR1ESR2F2MEN1PLD2

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
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed