SCHEMBL2107215

SCHEMBL2107215

Cc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
SLC7A5 Q01650 1/20 0.52
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KMT2A Q03164 4/20 0.49
ESR1 P03372 2/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
ESR2 Q92731 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL28417334 0.98 PARP1 (0.52) PARP1SLC7A5ADRB2ADRB1ADRB3
SCHEMBL8111051 0.90 SLC7A5 (0.48) PARP1SLC7A5ADRB2ADRB1ADRB3
SCHEMBL110296 0.88 SLC7A5 (0.58) SLC7A5ESR1ESR2CYP2C19CYP1A2
Hydrogen Peroxide SCHEMBL27146001 0.86 SLC7A5 (0.60) SLC7A5ESR1ESR2RAB9ACYP2C19
SCHEMBL28350987 0.86 SLC7A5 (0.56) SLC7A5ESR1ESR2CYP2C19CYP1A2
Water SCHEMBL28897664 0.86 SLC7A5 (0.56) SLC7A5ESR1ESR2CYP2C19CYP1A2
SCHEMBL1505170 0.84 PARP1 (0.52) PARP1ADRB2ADRB1ADRB3HDAC8
SCHEMBL7385096 0.82 GPR17 (0.51) PARP1ADRB2ADRB1ADRB3HDAC8
SCHEMBL27642696 0.82 PARP1 (0.47) PARP1SLC7A5ADRB2ADRB1ADRB3
SCHEMBL23037380 0.82 TDP1 (0.66) PARP1ADRB2ADRB1ADRB3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
CN-107848222-B The method of modified olefine polymer is prepared in an extruder 博里利斯股份公司 2019-08-27 CN claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
CN-107848222-A The method for preparing modified olefine polymer in an extruder 博里利斯股份公司 2018-03-27 CN claimed
CN-107538000-A The method of metal casting magnetic modified nanometer methacrylate magnetic impregnant 初丽萍 2018-01-05 CN claimed
CN-107459936-A A kind of methacrylate esters impregnation liquid containing epoxy resin 苏州纳康纳米材料有限公司 2017-12-12 CN claimed
CN-105921725-B Preparation method of magnetic nano modified methacrylate magnetic impregnant for metal castings 南京旭羽睿材料科技有限公司 2017-12-08 CN claimed
CN-106046266-A Epoxy monomer-comprising methacrylate impregnant for metal castings 初丽萍 2016-10-26 CN claimed
CN-105921725-A Method for magnetic nano modified methacrylate magnetic impregnant for metal casting 初丽萍 2016-09-07 CN claimed
CN-100555476-C No-halogen fire-resistant radiation cross-link wire and preparation method thereof SHENZHEN WOER NUCLEAR MATERIAL (CN) 2009-10-28 CN claimed
CN-1758385-A No-halogen fire-resistant radiation cross-link wire and its preparation method SHENZHEN WOER NUCLEAR MATERIAL (CN) 2006-04-12 CN claimed
WO-2023235753-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-12-07 WO disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP disclosed
US-5508437-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-04-16 US disclosed
US-5296608-A Intermediates for analogs of tyrosine sulfate or tyrosine phosphate containing peptides HOFFMAN-LA ROCHE INC. (US) 1994-03-22 US disclosed
US-5182263-A Appetite suppressants HOFFMANN-LA ROCHE INC. (US) 1993-01-26 US disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 EP disclosed