SCHEMBL8935664

SCHEMBL8935664

CC[C@H](Oc1ccc(C)c(C)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 1.00
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PPARA Q07869 14/20 0.50
PPARG P37231 13/20 0.50
PPARD Q03181 1/20 0.45
AR P10275 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
SCHEMBL8615615 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TDP1MEN1KMT2APPARA
SCHEMBL4814937 0.85 SMN1; SMN2 (0.74) SMN1; SMN2TDP1MEN1KMT2APPARA
SCHEMBL16571461 0.85 SMN1; SMN2 (0.74) SMN1; SMN2TDP1MEN1KMT2APPARA
SCHEMBL14121845 0.85 SMN1; SMN2 (0.74) SMN1; SMN2TDP1MEN1KMT2APPARA
SCHEMBL11359371 0.84 SMN1; SMN2 (0.73) SMN1; SMN2TDP1MEN1KMT2APPARA
SCHEMBL17512446 0.84 SMN1; SMN2 (0.72) SMN1; SMN2TDP1MEN1KMT2APPARA
SCHEMBL8935844 0.82 SMN1; SMN2 (0.70) SMN1; SMN2PPARAPPARG
SCHEMBL8935859 0.82 SMN1; SMN2 (0.70) SMN1; SMN2PPARAPPARG
SCHEMBL1171344 0.82 SMN1; SMN2 (0.70) SMN1; SMN2PPARAPPARG
SCHEMBL11355029 0.81 SMN1; SMN2 (0.69) SMN1; SMN2TDP1PPARAPPARG

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-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed