SCHEMBL29519635

SCHEMBL29519635

CC(C)COc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.57
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.54
ALOX5 P09917 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
KDM1A O60341 2/20 0.51
PTPN7 P35236 1/20 0.50
RECQL P46063 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDK2 Q15119 1/20 0.47
XDH P47989 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
SCHEMBL114254 1.00 AGXT (0.57) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL10025804 0.87 AGXT (0.45) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL29550893 0.85 AGXT (0.53) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL22849632 0.85 AGXT (0.53) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL1435391 0.85 AGXT (0.58) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL7973999 0.85 LMNA (0.63) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL11831663 0.85 AGXT (0.58) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL29670114 0.85 LMNA (0.63) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL22838174 0.83 CYP1A2 (0.52) AGXTKDM4EMAPK1TDP1RAB9A
SCHEMBL14113223 0.83 GPBAR1 (0.58) AGXTKDM4EMAPK1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486290-B1 FIXATIVE MOLECULES SYMRISE AG (DE) 2025-12-03 EP disclosed
US-20250179397-A1 Fixative Molecules SYMRISE AG (DE) 2025-06-05 US disclosed
US-20240410055-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2024-12-12 US disclosed
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
CN-113316398-B Seamless capsule, filter and smoking article comprising same 三生医药株式会社 2024-06-11 CN disclosed
CN-118076767-A Method and formulation for producing an optical metal oxide layer 默克专利有限公司 2024-05-24 CN disclosed
EP-4347756-A1 1,4-BUTANEDIOL MONO- OR DIESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2024-04-10 EP disclosed
CN-117120042-A Seamless capsule capable of stably disintegrating even in high-temperature and high-humidity environment and method for producing same 森下仁丹株式会社 2023-11-24 CN disclosed
WO-2023057401-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2023-04-13 WO disclosed
WO-2022248579-A1 1,4-BUTANEDIOL MONO- OR DIESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2022-12-01 WO disclosed
EP-4077299-A1 SUBSTITUTED 4-METHYLENE-TETRAHYDROPYRANS, 4-METHYL-DIHYDROPYRANS AND 4-METHYL-TETRAHYDROPYRANS AND USE THEREOF AS AROMA CHEMICALS BASF SE (DE) 2022-10-26 EP disclosed
EP-3997057-A1 2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2022-05-18 EP disclosed