SCHEMBL6172249

SCHEMBL6172249

COc1cc(C(=O)c2c(-c3ccc(OCCO)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.50
ESR2 Q92731 18/20 0.50
F2 P00734 2/20 0.46

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
SCHEMBL6171544 0.94 F2 (0.53) ESR1ESR2F2
SCHEMBL7774110 0.94 ESR1 (0.48) ESR1ESR2F2
SCHEMBL6598702 0.93 ESR1 (0.58) ESR1ESR2F2
SCHEMBL6596715 0.93 ESR1 (0.60) ESR1ESR2F2
SCHEMBL6172260 0.91 ESR1 (0.45) ESR1ESR2F2
SCHEMBL6172265 0.91 ESR1 (0.45) ESR1ESR2F2
SCHEMBL7772140 0.89 F2 (0.59) ESR1ESR2F2
SCHEMBL7772141 0.89 F2 (0.59) ESR1ESR2F2
Oxalic Acid SCHEMBL7989651 0.89 ESR1 (0.57) ESR1ESR2F2
SCHEMBL6599474 0.89 ESR1 (0.55) ESR1ESR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
EP-0980366-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-06-09 EP disclosed
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed