SCHEMBL10069154

SCHEMBL10069154

CCCOC(=O)C(CC(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
GRM1 Q13255 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP8 P22894 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.31
TSHR P16473 2/20 0.31
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13537882 0.89 ATM (0.46) HCAR2ALDH1A1L3MBTL1ATMTSHR
SCHEMBL14584559 0.86 NAAA (0.46) HCAR2ALDH1A1LMNAATMTSHR
SCHEMBL13690141 0.85 TAS1R3 (0.34) HCAR2GRM1TAS1R3TAS1R1ALDH1A1
SCHEMBL13690140 0.85 TSHR (0.36) MMP1MMP2MMP3ALDH1A1TSHR
SCHEMBL13537881 0.84 MMP8 (0.41) HCAR2MMP1MMP2MMP3ALDH1A1
SCHEMBL13946436 0.83 TSHR (0.34) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL13875466 0.80 CHRM1 (0.44) MMP1MMP2MMP3ALDH1A1LMNA
SCHEMBL14748186 0.80 TSHR (0.45) MMP1MMP2MMP3ALDH1A1L3MBTL1
SCHEMBL25877028 0.80 MMP8 (0.30) MMP8
SCHEMBL13536915 0.79 CTSS (0.35) MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159827-A1 LIQUID CRYSTAL COMPOSITION, FLUORINE-CONTAINING POLYMER, OPTICALLY ANISOTROPIC LAYER, LAMINATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-05-25 US disclosed
EP-2423748-A1 Lithographic printing plate precursor and plate making method thereof Fujifilm Corporation (JP) 2012-02-29 EP disclosed