SCHEMBL8325780

SCHEMBL8325780

CC(C)(C)OC(=O)Oc1cccc(S(OS(C)(=O)=O)(c2cccc(OC(=O)OC(C)(C)C)c2)c2cccc(OC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
CA2 P00918 1/20 0.41
HSD11B1 P28845 2/20 0.36
CYP3A4 P08684 1/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
NR1H2 P55055 1/20 0.35
ALOX5 P09917 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
KDM1A O60341 1/20 0.34
STAT3 P40763 1/20 0.34
STS P08842 3/20 0.33
KAT6A Q92794 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MEP1B Q16820 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
SCHEMBL8325000 0.96 ELANE (0.40) ELANECA2HSD11B1CYP3A4ABCC9
SCHEMBL8325533 0.90 ELANE (0.36) ELANECA2ABCC9ABCC8KCNJ11
SCHEMBL8321680 0.90 ELANE (0.36) ELANECA2ABCC9ABCC8KCNJ11
SCHEMBL8323469 0.84 ELANE (0.50) ELANECA2HSD11B1KDM1A
SCHEMBL8319678 0.83 ELANE (0.55) ELANECA2GPR119KDM1ASTS
SCHEMBL8648957 0.83 ELANE (0.38) ELANECA2HSD11B1CYP3A4ABCC9
SCHEMBL8648000 0.83 ELANE (0.38) ELANECA2HSD11B1CYP3A4ABCC9
SCHEMBL8323039 0.81 PSEN1 (0.44) KAT6A
SCHEMBL8648382 0.80 CYP3A4 (0.39) ELANECA2HSD11B1CYP3A4ABCC9
SCHEMBL8646164 0.80 CYP3A4 (0.39) ELANECA2HSD11B1CYP3A4ABCC9

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
US-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed