SCHEMBL6598628

SCHEMBL6598628

COc1cc(C(=O)c2c(-c3ccc(OCCN4CCC[C@H]4C(=O)O)cc3)sc3cc(O)ccc23)ccc1CN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.56
ESR2 Q92731 17/20 0.56
F2 P00734 2/20 0.56
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
PLD2 O14939 1/20 0.53
KDM1A O60341 1/20 0.53
NR1I2 O75469 1/20 0.53
USP2 O75604 1/20 0.53
C5 P01031 1/20 0.53
FYN P06241 1/20 0.53
PGR P06401 1/20 0.53

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
SCHEMBL6598623 1.00 ESR1 (0.56) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL7324485 0.95 ESR1 (0.63) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL7324494 0.95 ESR1 (0.63) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL6597107 0.92 F2 (0.53) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL6597103 0.92 F2 (0.53) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL7773968 0.91 F2 (0.68) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL7773971 0.91 F2 (0.68) ESR1ESR2F2MEN1ALDH1A1
SCHEMBL6596480 0.88 F2 (0.72) ESR1ESR2F2
SCHEMBL6596472 0.88 F2 (0.72) ESR1ESR2F2
SCHEMBL6597094 0.88 ESR1 (0.72) ESR1ESR2F2MEN1ALDH1A1

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