SCHEMBL2465452

SCHEMBL2465452

CC(C)c1ccc(C(C)C)c(OO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
PTGS1 P23219 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
ACHE P22303 4/20 0.38
BCHE P06276 3/20 0.38
LMNA P02545 2/20 0.38
RNASEH1 O60930 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
TYR P14679 1/20 0.36
FABP3 P05413 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
SCHEMBL3191477 0.83 GABRA1 (0.41) TRPA1PTGS1CACNA1CALDH1A1GAA
SCHEMBL9863360 0.83 TRPA1 (0.43) TRPA1PTGS1CACNA1CALDH1A1GAA
SCHEMBL738832 0.81 HDAC4 (0.48) TRPA1PTGS1CACNA1CALDH1A1GAA
SCHEMBL9643289 0.81 LMNA (0.48) TRPA1PTGS1CACNA1CALDH1A1GAA
SCHEMBL9497243 0.79 ALDH1A1 (0.53) TRPA1PTGS1CACNA1CALDH1A1GAA
SCHEMBL13051463 0.79 LMNA (0.38) TRPA1PTGS1CACNA1CALDH1A1GAA
SCHEMBL17861690 0.79 RXRA (0.42) TRPA1PTGS1CACNA1CALDH1A1GAA
SCHEMBL6537850 0.79 TRPA1 (0.55) TRPA1PTGS1CACNA1CHTTACHE
SCHEMBL11112704 0.78 ACHE (0.41) TRPA1PTGS1CACNA1CALDH1A1HTT
SCHEMBL10435972 0.78 GABRA1 (0.42) TRPA1ALDH1A1HTTLMNAGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063199-B Polymerization inhibitor and preparation method thereof, and method for co-producing benzyl alcohol and alkylene oxide 万华化学集团股份有限公司 2024-11-12 CN claimed
CN-117772114-A Method for continuously preparing p-diisopropylbenzene hydroperoxide 江苏扬农化工集团有限公司 2024-03-29 CN claimed
EP-4035647-B1 TWO-COMPONENT SELF-ADHESIVE DENTAL COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-10-18 EP claimed
EP-2450026-B1 DENTAL COMPOSITION HAVING A REDOX INDICATOR AND METHOD OF USING SAME KERR CORP (US) 2023-03-15 EP claimed
CN-112679317-B Method for separating m-di- (2-hydroxyisopropyl) benzene and p-di- (2-hydroxyisopropyl) benzene 中国石油化工股份有限公司 2023-01-24 CN claimed
CN-112679403-B Method for preparing m-diisopropylbenzene hydroperoxide and p-diisopropylbenzene hydroperoxide 中国石油化工股份有限公司 2022-11-01 CN claimed
CN-112679320-B Process for preparing resorcinol and hydroquinone 中国石油化工股份有限公司 2022-10-11 CN claimed
EP-4035647-A1 TWO-COMPONENT SELF-ADHESIVE DENTAL COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2022-08-03 EP claimed
US-20210283023-A1 Dual-Curing Dental Compositions with High Stability JAMES R. GLIDEWELL DENTAL CERAMICS, INC. 2021-09-16 US claimed
US-11020324-B2 Dual-curing dental compositions with high stability JAMES R. GLIDEWELL DENTAL CERAMICS, INC. (US) 2021-06-01 US claimed
WO-1982001556-A1 PROCESS FOR CURING FOUNDRY CORES AND MOLDS CONS FOUNDRIES & MFG (US) 1982-05-13 WO claimed
US-4311627-A FURAN RESIN, SULFUR DIOXIDE CONSOLIDATED FOUNDRIES AND MFG. CORP. (US) 1982-01-19 US claimed
US-4152294-A MULTISTAGE PREPARATION AND PURIFICATION OF P-DIISOPROPYLBENZENE MONOHYDROPEROXIDE, AQUEOUS EMULSION POLYMERIZATION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-05-01 US claimed
US-4152293-A MULTISTAGE PREPARATION AND PURIFICATION OF P-DIISOPROPYLBENZENE MONOHYDROPEROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-05-01 US claimed
US-4088699-A PRODUCTION OF ARALKYL TERTIARY HYDROPEROXIDES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-05-09 US claimed
US-4080386-A OXIDATION OF AN ARYL TERTIARY ALKANE, TREATING RECYCLE STREAM WITH AN ALKALINE EXTRACTANT THE GOODYEAR TIRE & RUBBER CO. (US) 1978-03-21 US claimed
US-4052547-A PROCESS FOR POLYMERIZING DIOLEFIN COPOLYMERS EMPLOYING A CATALYST MIXTURE OF HYDROPEROXIDES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-10-04 US claimed
US-3978142-A BY ACID REARRANGEMENT 3978142 MOD 3978142 AND CLEAVAGE OF ARALKYL TERTIARY POLYHYDROPEROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-08-31 US claimed
US-3978138-A PROCESS FOR PREPARING P-DIISOPROPYL-BENZENEDIHYDROPEROXIDE TOYO SODA MANUFACTURING CO., LTD. (JA) 1976-08-31 US claimed
US-3953521-A OXIDATION SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-27 US claimed