SCHEMBL28634308

SCHEMBL28634308

CCC(Oc1c(C(C)(C)C)cccc1C(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 6/20 0.44
PPARA Q07869 5/20 0.44
NLRP3 Q96P20 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CA2 P00918 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8935730 0.83 PPARG (0.54) SMN1; SMN2PPARGPPARAALDH1A1GAA
SCHEMBL8935731 0.83 PPARG (0.54) SMN1; SMN2PPARGPPARAALDH1A1GAA
SCHEMBL8935678 0.78 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL8935675 0.78 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL28378380 0.78 CYP1A2 (0.46) PPARGPPARAALDH1A1CA2GAA
SCHEMBL8935791 0.77 SMN1; SMN2 (0.49) SMN1; SMN2PPARGPPARA
SCHEMBL8935688 0.77 SMN1; SMN2 (0.49) SMN1; SMN2PPARGPPARA
SCHEMBL8935912 0.77 SMN1; SMN2 (0.49) SMN1; SMN2PPARGPPARA
SCHEMBL8935787 0.77 SMN1; SMN2 (0.49) SMN1; SMN2PPARGPPARA
SCHEMBL8935685 0.77 SMN1; SMN2 (0.49) SMN1; SMN2PPARGPPARA

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
CN-113493874-B Method for purifying high-purity scandium salt 福建省长汀金龙稀土有限公司 2022-12-13 CN disclosed
CN-113493874-A Method for purifying high-purity scandium salt 厦门钨业股份有限公司 2021-10-12 CN disclosed