SCHEMBL2555409

SCHEMBL2555409

COC(C)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.56
TAAR1 Q96RJ0 5/20 0.56
SLC6A2 P23975 3/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
MAOA P21397 1/20 0.56
CYP2A6 P11509 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
SLC18A2 Q05940 1/20 0.52
CYP2D6 P10635 1/20 0.52
TRPA1 O75762 2/20 0.50
EPHX1 P07099 1/20 0.48
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.45

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
SCHEMBL13006663 1.00 SIGMAR1 (0.56) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL13189946 1.00 SIGMAR1 (0.56) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL43314 0.90 SLC6A4 (0.46) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL44955 0.86 TAAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9418953 0.85 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL14764261 0.82 TAAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL112281 0.82 TAAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1256615 0.82 SIGMAR1 (0.58) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL412663 0.82 SIGMAR1 (0.58) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6551869 0.81 AGXT (0.41) TAAR1SLC6A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171197-B Method for preparing high-activity polyisobutylene by using bifunctional initiator and application 北京石油化工学院 2022-08-02 CN claimed
CN-111171197-A Method for preparing high-activity polyisobutylene by using bifunctional initiator and application 北京石油化工学院 2020-05-19 CN claimed
CN-111094394-A Polyolefin dispersants and methods of making and using the same 雪佛龙奥伦耐有限责任公司 2020-05-01 CN claimed
EP-1979362-B1 NOVEL SILANE COMPOUNDS AND USE THEREOF IN ORDER TO FUNCTIONALISE SOLID MEDIA AND IMMOBILISE BIOLOGICAL MOLECULES ON SAID MEDIA COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-12-15 EP claimed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed
CN-116514679-A Palladium-catalyzed sp with low-cost and high-efficiency quaternary ammonium nitrate as oxidant 2 And sp (sp) 3 Carbon hydrogen bond alkenylation method 南京工业大学 2023-08-01 CN disclosed
CN-111253583-B Dilatant hybrid dynamic polymer and dilatant realization method thereof 厦门天策材料科技有限公司 2023-05-16 CN disclosed
CN-111171197-B Method for preparing high-activity polyisobutylene by using bifunctional initiator and application 北京石油化工学院 2022-08-02 CN disclosed
US-10889146-B2 Tire object provided with an elastomer layer made of a thermoplastic elastomer in the form of an (A-b-(a-methylstyrene-co-B))n-b-C block copolymer COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-01-12 US disclosed
CN-111378176-A Energy absorption method based on force-induced responsive cross-linked polymer with multiple networks 翁秋梅 2020-07-07 CN disclosed
WO-1996006118-A1 CATIONIC POLYMERIZATION IN CARBON DIOXIDE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-02-29 WO disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP disclosed
US-4985442-A ANTIINFLAMMATORY, LUNG DISEASES, PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
WO-1990010657-A1 POLYURETHANE FOAM THE UNIVERSITY OF AKRON (US) 1990-09-20 WO disclosed
US-4939184-A DIOL IS HYDROXY ENDCAPPED POLYISOBUTYLENE UNIVERSITY OF AKRON (US) 1990-07-03 US disclosed
US-4383090-A HIGH SPEED; COCURING AGENT OF POLYAMIDE-POLYLACTAM COPOLYMER; FILMS; CASTINGS; POTTING; ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1983-05-10 US disclosed
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 EP disclosed