SCHEMBL16103263

SCHEMBL16103263

CC(C)COOC(C)(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CACNA1F O60840 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34

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
SCHEMBL28228636 0.92 MAPK1 (0.65) MAPK1ALDH1A1ALOX15TAAR1TSHR
SCHEMBL2640268 0.87 MAPK1 (0.42) MAPK1ALDH1A1ALOX15TSHR
SCHEMBL28482720 0.85 MAPK1 (0.55) MAPK1ALDH1A1ALOX15TAAR1TSHR
SCHEMBL28350280 0.84 MAPK1 (0.50) MAPK1ALDH1A1ALOX15TAAR1CHRM2
SCHEMBL17187959 0.82 ALDH1A1 (0.36) MAPK1ALDH1A1TSHRHPGDCHRM2
SCHEMBL10267392 0.81 MAPK1 (0.41) MAPK1
SCHEMBL7937726 0.80 MAPK1 (0.48) MAPK1ALDH1A1ALOX15TAAR1CHRM2
Isobutane SCHEMBL16722563 0.79 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1TSHR
SCHEMBL28682767 0.78 MAPK1 (0.67) MAPK1ALDH1A1ALOX15TAAR1CHRM2
SCHEMBL29959041 0.76 MAPK1 (0.48) MAPK1ALDH1A1ALOX15CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053569-A1 FUEL COMPOSITION OF DIESEL FUEL ARISTOV ANDREY VIACHESLAVOVICH (RU) 2023-02-23 US claimed
US-20230053569-A1 FUEL COMPOSITION OF DIESEL FUEL ARISTOV ANDREY VIACHESLAVOVICH (RU) 2023-02-23 US disclosed
US-20230053569-A1 FUEL COMPOSITION OF DIESEL FUEL ARISTOV ANDREY VIACHESLAVOVICH (RU) 2023-02-23 US disclosed
US-11485921-B2 Fuel composition of diesel fuel ARISTOV ANDREY VIACHESLAVOVICH (RU) 2022-11-01 US disclosed
US-11485921-B2 Fuel composition of diesel fuel ARISTOV ANDREY VIACHESLAVOVICH (RU) 2022-11-01 US disclosed
CN-113227331-A Fuel composition of diesel fuel A·V·阿里斯托夫 2021-08-06 CN disclosed
EP-3068838-A1 POLYAMIDE COMPOSITIONS FOR METAL COATING AND METAL COMPONENTS COATED WITH THE SAME Rhodia Operations (FR) 2016-09-21 EP disclosed
EP-2973609-A1 FIRE AND WATER RESISTANT CABLE General Cable Technologies Corporation (US) 2016-01-20 EP disclosed
WO-2015071192-A1 POLYAMIDE COMPOSITIONS FOR METAL COATING AND METAL COMPONENTS COATED WITH THE SAME RHODIA OPERATIONS (FR) 2015-05-21 WO disclosed
WO-2014151297-A1 FIRE AND WATER RESISTANT CABLE GENERAL CABLE TECHNOLOGIES CORPORATION (US) 2014-09-25 WO disclosed