SCHEMBL7863381

SCHEMBL7863381

CC1(C)OC(=O)OC1(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.40
HCAR2 Q8TDS4 2/20 0.40
CYP1A2 P05177 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
HSD11B1 P28845 2/20 0.37
SIRT1 Q96EB6 2/20 0.36
EGFR P00533 1/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29223627 1.00 HCAR3 (0.40) HCAR3HCAR2CYP1A2MMP2MMP9
SCHEMBL29223614 0.73 HCAR3 (0.40) HCAR3HCAR2CYP1A2MMP2MMP9
SCHEMBL29223613 0.73 HCAR3 (0.40) HCAR3HCAR2CYP1A2MMP2MMP9
SCHEMBL4622011 0.72 ALDH1A1 (0.39) HCAR3HCAR2CYP1A2MMP2MMP9
SCHEMBL11432661 0.69 ALDH1A1 (0.41) HCAR3HCAR2CYP1A2MMP2MMP9
SCHEMBL28548234 0.69 HCAR2 (0.53) HCAR3HCAR2CYP1A2MMP2MMP9
SCHEMBL1950788 0.68 LMNA (0.33)
SCHEMBL7983386 0.66 ALDH1A1 (0.40) HCAR3HCAR2CYP1A2MMP2MMP9
SCHEMBL15960860 0.65 CFTR (0.39) HCAR3HCAR2CYP1A2MMP2MMP9
SCHEMBL7132642 0.64 HSD11B1 (0.45) HCAR3HCAR2CYP1A2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043810-B Method for preparing chiral hydrocarbon bond oxidation product by non-metal catalyzed asymmetric hydrocarbon bond oxidation 浙江大学 2024-04-19 CN disclosed
CN-115043810-A Method for preparing chiral carbon-hydrogen bond oxidation product by non-metal catalyzed asymmetric carbon-hydrogen bond oxidation 浙江大学 2022-09-13 CN disclosed
US-6315918-B1 CAPACITOR HAVING HIGH ENERGY DENSITY AND EXCELLENT WITH-STAND VOLTAGE AND CHARGING/DISCHARGING CYCLE PROPERTIES, AND SAFETY PERFORMANCE MITSUI CHEMICALS INC. (JP) 2001-11-13 US disclosed
EP-0908905-A2 Non-aqueous electrolytic solution for capacitor and capacitor containing non-aqueous electrolytic solution Mitsui Chemicals, Inc. (JP) 1999-04-14 EP disclosed