SCHEMBL44650

SCHEMBL44650

c1ccc(C2CCc3ccccc3S2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRIN2B Q13224 3/20 0.41
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GSK3B P49841 1/20 0.36
BCHE P06276 1/20 0.36
PLAU P00749 1/20 0.35

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
SCHEMBL10534797 0.85 PRCP (0.41) SIGMAR1ALDH1A1SMN1; SMN2GSK3BBCHE
SCHEMBL9490322 0.79 SMN1; SMN2 (0.51) ALDH1A1TSHRSMN1; SMN2HSD17B10GSK3B
SCHEMBL10534331 0.79 KDM1A (0.41) SIGMAR1SMN1; SMN2GRIN2BKDM1AMAOA
SCHEMBL11129686 0.76 SIGMAR1 (0.44) SIGMAR1CYP11B2GRIN2BKDM1AMAOA
SCHEMBL6414384 0.75 TSHR (0.36) SIGMAR1CYP11B2ALDH1A1TSHRSMN1; SMN2
SCHEMBL6721448 0.75 SIGMAR1 (0.43) SIGMAR1TSHRPLAU
SCHEMBL15547683 0.73 SIGMAR1 (0.42) SIGMAR1CYP11B2TSHRGRIN2BPLAU
SCHEMBL30724832 0.73 SIGMAR1 (0.42) SIGMAR1GSK3BPLAU
SCHEMBL10780065 0.73 SIGMAR1 (0.42) SIGMAR1GSK3BPLAU
SCHEMBL6676676 0.73 PLAU (0.45) SIGMAR1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3602046-A1 METHODS FOR DETECTION OF TAU PROTEIN AGGREGATION MODULATING COMPOUNDS Janssen Vaccines & Prevention B.V. (NL) 2020-02-05 EP claimed
WO-2018178080-A1 METHODS FOR DETECTION OF TAU PROTEIN AGGREGATION MODULATING COMPOUNDS JANSSEN VACCINES & PREVENTION B.V. (NL) 2018-10-04 WO claimed
WO-2015188142-A1 DIAGNOSIS AND MONITORING OF TRAUMATIC BRAIN INJURY BY IMAGING RETINAL ABNORMALITIES CEDARS-SINAI MEDICAL CENTER (US) 2015-12-10 WO claimed
EP-2938636-A2 HIGH-THROUGHPUT SYSTEM AND METHOD FOR IDENTIFYING ANTIBODIES HAVING SPECIFIC ANTIGEN BINDING ACTIVITIES AbbVie Inc. (US) 2015-11-04 EP claimed
EP-2875350-A1 MANIPULATION OF MICROPARTICLES IN LOW FIELD DIELECTROPHORETIC REGIONS Biological Dynamics, Inc. (US) 2015-05-27 EP claimed
WO-2014106004-A2 HIGH-THROUGHPUT SYSTEM AND METHOD FOR IDENTIFYING ANTIBODIES HAVING SPECIFIC ANTIGEN BINDING ACTIVITIES ABBVIE, INC. (US) 2014-07-03 WO claimed
WO-2014015187-A1 MANIPULATION OF MICROPARTICLES IN LOW FIELD DIELECTROPHORETIC REGIONS BIOLOGICAL DYNAMICS, INC. (US) 2014-01-23 WO claimed
EP-2217259-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Health (US) 2010-08-18 EP claimed
WO-2010062377-A2 METHODS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF PREECLAMPSIA YALE UNIVERSITY (US) 2010-06-03 WO claimed
WO-2009052411-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-04-23 WO claimed
EP-1251855-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS IN COMBINATION WITH ESTROGENS Endorecherche, Inc. (CA) 2002-10-30 EP claimed
WO-2001054699-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS IN COMBINATION WITH ESTROGENS ENDORECHERCHE, INC. (CA) 2001-08-02 WO claimed
WO-2024112231-A1 COMPOSITION OF FAST-ACTING INSULIN (VARIANTS) ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ГЕРОФАРМ" 2024-05-30 WO disclosed
EP-4285994-A2 METHODS FOR THE PREVENTION OR TREATMENT OF NO-REFLOW FOLLOWING ISCHEMIA/REPERFUSION INJURY Stealth BioTherapeutics Inc. (US) 2023-12-06 EP disclosed
WO-2023161211-A1 PEPTIDIC INHIBITORS OF AMYLOID SELF- AND CROSS-ASSEMBLY Technische Universität München (DE) 2023-08-31 WO disclosed
WO-2022159641-A1 METHOD FOR TREATING HEPATOCELLULAR CARCINOMA ACADEMIA SINICA (TW) 2022-07-28 WO disclosed
EP-0343380-A1 Method and agent to differentiate between and to determine leucocytes MERCK PATENT GmbH (DE) 1989-11-29 EP disclosed
US-4801593-A VIRICIDE FOR RHINITIS VIRUS CONTAINING 2-PHENYLTETRALIN DERIVATIVE BURROUGHS WELLCOME CO. (US) 1989-01-31 US disclosed
EP-0025598-B1 THE USE OF 2-PHENYLTETRALIN DERIVATIVES, OR HETEROCYCLIC ANALOGUES, IN MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-08-01 EP disclosed
EP-0025598-A1 The use of 2-phenyltetralin derivatives, or heterocyclic analogues, in medicine and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-25 EP disclosed