SCHEMBL7976453

SCHEMBL7976453

CCC(Oc1cc(C)c(C)c2c1CC(Br)C2=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
PPARA Q07869 4/20 0.41
PPARG P37231 4/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.34
PPARD Q03181 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
LTB4R Q15722 1/20 0.31

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
SCHEMBL7972694 0.80 SMN1; SMN2 (0.43) SMN1; SMN2PPARAPPARGPTGDR2
SCHEMBL7528789 0.79 KDM4E (0.38) SMN1; SMN2PPARGPTGDR2ALDH1A1
SCHEMBL7974243 0.79 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPPARGPTGDR2PPARD
SCHEMBL7976476 0.76 PPARA (0.42) SMN1; SMN2PPARAPPARGPTGDR2PPARD
SCHEMBL4815922 0.74 SMN1; SMN2 (0.53) SMN1; SMN2PPARAPPARGPTGDR2PPARD
SCHEMBL7974342 0.69 PPARA (0.38) SMN1; SMN2PPARAPPARGPTGDR2PPARD
SCHEMBL7972569 0.68 SMN1; SMN2 (0.50) SMN1; SMN2PPARAPPARGPTGDR2ALDH1A1
SCHEMBL4817468 0.68 SMN1; SMN2 (0.53) SMN1; SMN2PPARAPPARGPTGDR2PPARD
SCHEMBL11359371 0.67 SMN1; SMN2 (0.73) SMN1; SMN2PPARAPPARGALDH1A1
SCHEMBL7962763 0.66 LMNA (0.42) SMN1; SMN2PPARAPPARGPPARDALDH1A1

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-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed