SCHEMBL8935640

SCHEMBL8935640

CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
PPARG P37231 12/20 0.51
PPARA Q07869 12/20 0.51
NR1H4 Q96RI1 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR4A2 P43354 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8935642 1.00 SMN1; SMN2 (0.59) SMN1; SMN2PPARGPPARANR1H4TDP1
SCHEMBL28631721 0.87 PPARG (0.60) SMN1; SMN2PPARGPPARANR1H4TDP1
SCHEMBL16571566 0.85 PPARG (0.67) SMN1; SMN2PPARGPPARALMNAHSD17B10
SCHEMBL31151825 0.84 SMN1; SMN2 (0.54) SMN1; SMN2PPARGPPARA
SCHEMBL8823342 0.83 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARARXRARXRB
Hydrochloric Acid SCHEMBL10387366 0.83 SMN1; SMN2 (0.52) SMN1; SMN2PPARGPPARA
SCHEMBL11550284 0.82 SMN1; SMN2 (0.67) SMN1; SMN2PPARGPPARA
SCHEMBL10386442 0.81 PPARG (0.62) SMN1; SMN2PPARGPPARA
SCHEMBL21991991 0.81 PPARG (0.66) SMN1; SMN2PPARGPPARA
SCHEMBL8935859 0.81 SMN1; SMN2 (0.70) 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 3 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
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed