SCHEMBL28201247

SCHEMBL28201247

CCC(C)OC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
AKR1C3 P42330 2/20 0.49
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRA1A P35348 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
GAA P10253 1/20 0.42
ABCB1 P08183 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6231293 0.88 ALDH1A1 (0.58) ALDH1A1SCN1ASCN2ASCN3AL3MBTL1
SCHEMBL9906968 0.85 ALDH1A1 (0.48) ALDH1A1AKR1C3SCN1ASCN2ASCN3A
SCHEMBL2989810 0.85 ALDH1A1 (0.68) ALDH1A1SCN1ASCN2ASCN3AL3MBTL1
SCHEMBL4733499 0.85 PBRM1 (0.48) ALDH1A1SCN1ASCN2ASCN3AADRA1A
SCHEMBL9456728 0.83 CRHBP (0.56) ALDH1A1AKR1C3L3MBTL1CYP1A2CYP3A4
SCHEMBL2982475 0.83 LMNA (0.55) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL867792 0.83 LMNA (0.55) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL2980323 0.83 LMNA (0.55) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL22361809 0.83 ALDH1A1 (0.78) ALDH1A1AKR1C3SCN1ASCN2ASCN3A
SCHEMBL8880799 0.82 ALDH1A1 (0.52) ALDH1A1SCN1ASCN2ASCN3AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107641409-A Method for preparing the latex by Phosphorus acid and photoinitiator group functionalization 陶氏环球技术有限责任公司 2018-01-30 CN disclosed