SCHEMBL7976511

SCHEMBL7976511

CCC(Oc1c(C)cc(C)c2c1CCC2=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
PPARA Q07869 8/20 0.39
PPARG P37231 7/20 0.38
PTPN1 P18031 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IMPDH2 P12268 1/20 0.30

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 0.79 SMN1; SMN2 (0.43) SMN1; SMN2PPARAPPARGPTPN1PTGDR2
SCHEMBL7974243 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPPARGPTGDR2MEN1
SCHEMBL7526935 0.75 MCL1 (0.40) PPARAPPARG
SCHEMBL4816039 0.74 SMN1; SMN2 (0.55) SMN1; SMN2PPARAPPARGPTPN1PTGDR2
SCHEMBL8935645 0.74 SMN1; SMN2 (0.58) SMN1; SMN2PPARAPPARGPTGDR2MEN1
SCHEMBL8935648 0.74 SMN1; SMN2 (0.58) SMN1; SMN2PPARAPPARGPTGDR2MEN1
SCHEMBL7972627 0.73 SMN1; SMN2 (0.38) SMN1; SMN2PPARAPPARG
SCHEMBL7525425 0.72 KDM4E (0.46) BRD4IMPDH2
SCHEMBL5860860 0.70 SMN1; SMN2 (0.54) SMN1; SMN2PPARAPPARGPTPN1PTGDR2
SCHEMBL18603203 0.69 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGPTGDR2

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