SCHEMBL380054

SCHEMBL380054

O=C(O)CCCCCCC(S)S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
GSTK1 Q9Y2Q3 2/20 0.59
ENPEP Q07075 1/20 0.54
FFAR4 Q5NUL3 3/20 0.52
FFAR1 O14842 3/20 0.52
GPR84 Q9NQS5 4/20 0.50
ALDH1A1 P00352 3/20 0.50
FOLH1 Q04609 1/20 0.50
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
PPARG P37231 4/20 0.48
PPARD Q03181 4/20 0.48
PPARA Q07869 4/20 0.48
HDAC11 Q96DB2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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
SCHEMBL3839670 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL2722834 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL8814639 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL10489478 0.90
SCHEMBL15956044 0.85 TSHR (0.60) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL1198436 0.81 GSTK1 (0.55) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL11254501 0.81 GSTK1 (0.55) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL8359558 0.81 GSTK1 (0.55) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL14685943 0.81 GSTK1 (0.55) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL14686086 0.81 GSTK1 (0.55) TSHRLMNANFKB1PMP22GSTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2355788-B1 DEPILATORY COMPOSITION RECKITT & COLMAN OVERSEAS (GB) 2014-02-12 EP claimed
EP-3280712-A1 CONJUGATE COMPOUNDS OF URSODEOXYCHOLIC, BERBERINE OR L-CARNITINE, AND COMPOSITIONS AND METHODS THEREOF Shenzhen Hightide Biopharmaceutical, Ltd. (CN) 2018-02-14 EP disclosed
EP-3174874-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF Shenzhen Hightide Biopharmaceutical Ltd. (CN) 2017-06-07 EP disclosed
WO-2016161921-A1 CONJUGATE COMPOUNDS OF URSODEOXYCHOLIC, BERBERINE OR L-CARNITINE, AND COMPOSITIONS AND METHODS THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2016-10-13 WO disclosed
WO-2016015634-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2016-02-04 WO disclosed
EP-2846876-A2 HAIR REMOVAL COMPOSITIONS Reckitt & Colman (Overseas) Limited (GB) 2015-03-18 EP disclosed
WO-2013160690-A2 NOVEL HAIR REMOVAL COMPOSITIONS RECKITT & COLMAN (OVERSEAS) LIMITED (GB) 2013-10-31 WO disclosed
CN-102803243-A Piperazine Dithioctate And Pharmaceutical Composition Comprising The Same CELLTRION CHEMICAL RES INST 2012-11-28 CN disclosed
CN-102675300-A Lipoic acid-aporphine conjugated compound, medicine composite and usage thereof SHANGHAI INST MATERIA MEDICA 2012-09-19 CN disclosed
CN-102603709-A Thioctic acid compound and preparation method thereof HAINAN LINGKANG PHARMACEUTICAL 2012-07-25 CN disclosed
EP-2408927-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2012-01-25 EP disclosed
WO-2010105851-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-23 WO disclosed
CN-101647491-A Fruit yogurt containing tea and production method thereof INNER MONGOLIA YILI IND GROUP 2010-02-17 CN disclosed
EP-1001735-B1 DEPILATORY COMPOSITIONS, METHODS FOR THEIR PREPARATION AND THEIR USE RECKITT BENCKISER FRANCE (FR) 2003-03-19 EP disclosed
EP-1124820-A1 LIPOIC ACID DERIVATIVES AND THEIR USE IN TREATMENT OF DISEASE THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-08-22 EP disclosed
CN-1065534-C Method for synthesizing thioctic acid amide SHANGHAI INST MATERIA MEDICA (CN) 2001-05-09 CN disclosed
WO-2000024734-A1 LIPOIC ACID DERIVATIVES AND THEIR USE IN TREATMENT OF DISEASE THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-05-04 WO disclosed
CN-1161332-A Method for synthesizing thioctic acid amide SHANGHAI INST MATERIA MEDICA (CN) 1997-10-08 CN disclosed