SCHEMBL7974342

SCHEMBL7974342

CCC(Oc1cc(C)c(C)c2c1Cc1sc(S)nc1-2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FBP1 P09467 4/20 0.36
CYP3A4 P08684 1/20 0.34
PPARD Q03181 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PPARG P37231 1/20 0.32

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
SCHEMBL7972627 0.82 SMN1; SMN2 (0.38) PPARASMN1; SMN2PPARDPPARG
SCHEMBL7520112 0.81 FBP1 (0.38) PPARAFBP1CYP3A4PPARDPPARG
SCHEMBL7974210 0.77 ADORA1 (0.41) PPARASMN1; SMN2PPARDPTGDR2PPARG
SCHEMBL7974243 0.72 SMN1; SMN2 (0.48) PPARASMN1; SMN2PPARDPTGDR2PPARG
SCHEMBL7976497 0.71 MAPT (0.47) PPARASMN1; SMN2CYP3A4PPARG
SCHEMBL7976456 0.69 PPARA (0.39) PPARASMN1; SMN2PPARG
SCHEMBL7976453 0.69 SMN1; SMN2 (0.42) PPARASMN1; SMN2PPARDPTGDR2PPARG
SCHEMBL7962751 0.66 MAPT (0.46) PPARASMN1; SMN2FBP1CYP3A4PPARG
SCHEMBL7962810 0.66 MAPT (0.47) PPARASMN1; SMN2FBP1CYP3A4PPARG
SCHEMBL4815922 0.64 SMN1; SMN2 (0.53) PPARASMN1; SMN2PPARDPTGDR2PPARG

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