SCHEMBL4543175

SCHEMBL4543175

O=C(c1ccc(OCCN2CCCC2)cc1)c1ccsc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 7/20 0.75
PSMB5 P28074 7/20 0.75
PSMB2 P49721 5/20 0.75
LTA4H P09960 2/20 0.70
KDM4E B2RXH2 5/20 0.58
ESR1 P03372 2/20 0.58
ESR2 Q92731 2/20 0.58
HRH4 Q9H3N8 1/20 0.58
ALDH1A1 P00352 2/20 0.57
GCGR P47871 1/20 0.56
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL8475814 0.99 PSMB1 (0.73) PSMB1PSMB5PSMB2LTA4HKDM4E
Water SCHEMBL8476776 0.99 PSMB1 (0.73) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL7443953 0.99 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
Water SCHEMBL8476448 0.97 PSMB1 (0.76) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL7451065 0.97 PSMB1 (0.76) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL7450424 0.94 KDM4E (0.67) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL8337044 0.93 KDM4E (0.68) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL7447270 0.89 SMN1; SMN2 (0.61) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL8641421 0.88 PSMB1 (0.62) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL6597214 0.88 PSMB1 (0.97) PSMB1PSMB5PSMB2LTA4HKDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104994877-A Trans-clomiphene for cancer treatment REPROS THERAPEUTICS INC 2015-10-21 CN disclosed
CN-104244953-A Combination therapy for treating androgen deficiency REPROS THERAPEUTICS INC 2014-12-24 CN disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
CN-102940619-A Trans-clomiphene for metabolic syndrome REPROS THERAPEUTICS INC 2013-02-27 CN disclosed
CN-101896174-B Pearl clomiphene for treating metabolic syndrome REPROS THERAPEUTICS INC 2012-10-31 CN disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
CN-101896174-A Pearl clomiphene for treating metabolic syndrome REPROS THERAPEUTICS INC 2010-11-24 CN disclosed
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
EP-0973517-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-0973517-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
US-5958969-A OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed
US-5948796-A OSTEOPOROSIS, CANCER, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1999-09-07 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998048794-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed