SCHEMBL1532549

SCHEMBL1532549

CCOC(=O)C(C)C(S)S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TRPA1 O75762 1/20 0.37
CPB2 Q96IY4 1/20 0.36
PIN1 Q13526 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CAD P27708 1/20 0.33

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
SCHEMBL819368 0.85 ALDH1A1 (0.43) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL19318891 0.84 ALDH1A1 (0.53) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL12640198 0.84 ALDH1A1 (0.53) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL28670221 0.81 ALOX15 (0.42) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL5374208 0.79
SCHEMBL15034672 0.79 ALDH1A1 (0.48) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL764895 0.79 ALDH1A1 (0.48) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL765721 0.79 ALDH1A1 (0.48) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL12328387 0.79 ALDH1A1 (0.48) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL1172124 0.79

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-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
CN-109568166-B Fragrance materials 宝洁公司 2022-01-28 CN disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP disclosed
CN-104837973-B Fragrance materials 宝洁公司 2020-04-21 CN disclosed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO disclosed
US-10309212-B2 Energetic cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-06-04 US disclosed
US-10253244-B2 Scale-inhibiting cocrystals for treatment of a subterranean formation HALLIBURTON ENERGY SERVICES, INC. (US) 2019-04-09 US disclosed
EP-2741731-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-17 EP disclosed
US-20160177698-A1 ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. 2016-06-23 US disclosed
US-20160130496-A1 SCALE-INHIBITING COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. 2016-05-12 US disclosed
WO-2015034478-A1 SCALE-INHIBITING COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. (US) 2015-03-12 WO disclosed
WO-2015030730-A1 ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION HALLIBURTON ENERGY SERVICES, INC. (US) 2015-03-05 WO disclosed
EP-2468239-B1 Encapsulates PROCTER & GAMBLE INTERNAT OPERATIONS SA (CH) 2013-09-18 EP disclosed
EP-2468239-A1 Encapsulates Procter & Gamble International Operations SA (CH) 2012-06-27 EP disclosed
US-20110251426-A1 SCREENING FOR SOLID FORMS BY ULTRASOUND CRYSTALLIZATION AND COCRYSTALLIZATION USING ULTRASOUND S.S.C.I., INC. (US) 2011-10-13 US disclosed
EP-2292585-A1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT (KANSAS CITY), LLC (US) 2011-03-09 EP disclosed