SCHEMBL8730213

SCHEMBL8730213

CC(C)(CS)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
KCNN4 O15554 4/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19126253 0.80 TAAR1 (0.54) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL7729903 0.79 TAAR1 (0.46) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL3368788 0.78 TAAR1 (0.64) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8356005 0.77 TSHR (0.52) TAAR1ESR1ESR2MAPTIDO1
SCHEMBL20411848 0.77 TAAR1 (0.44) TAAR1MAPK1CYP2C19HIF1AALDH1A1
Hydrochloric Acid SCHEMBL3052766 0.77 TAAR1 (0.95) TAAR1MAPK1CYP2C19HIF1AALDH1A1
Hydrochloric Acid SCHEMBL11373252 0.77 TAAR1 (0.56) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL25540415 0.77 HDAC8 (0.42) TAAR1CYP2C19ALDH1A1ALOX15ESR1
Tert-Amylbenzene SCHEMBL131593 0.76 TAAR1 (0.61) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL7916191 0.76 TAAR1 (0.61) TAAR1MAPK1CYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283351-A1 HYDROFORMYLATION PROCESS FOR PREPARING LINEAR AND BRANCHED ALDEHYDES NORTH CAROLINA STATE UNIVERSITY (US) 2023-01-12 WO disclosed
CN-114929158-A Method for producing a denture, curable composition for photo-molding, and kit for producing a denture 株式会社德山齿科 2022-08-19 CN disclosed
CN-113573893-A Adhesive composition, adhesive layer and adhesive sheet 日东电工株式会社 2021-10-29 CN disclosed
CN-109690363-B Hard coat laminate, molded body, and method for producing same 株式会社大赛璐 2021-07-27 CN disclosed
WO-2010080537-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2010-07-15 WO disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
EP-0091219-B1 HETEROCYCLIC FUNGICIDAL AND GROWTH REGULANT COMPOUNDS, AND COMPOSITIONS CONTAINING THEM SCHERING AGROCHEMICALS LIMITED (GB) 1987-10-21 EP disclosed
EP-0091219-A2 Heterocyclic fungicidal and growth regulant compounds, and compositions containing them SCHERING AGROCHEMICALS LIMITED (GB) 1983-10-12 EP disclosed