SCHEMBL8935907

SCHEMBL8935907

CCC(Oc1cc(C)ccc1C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
PPARA Q07869 3/20 0.51
TSHR P16473 3/20 0.50
CYP2C9 P11712 2/20 0.48
TDP1 Q9NUW8 3/20 0.44
PPARG P37231 2/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C8 P10632 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
CISD1 Q9NZ45 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL8935915 1.00 SMN1; SMN2 (0.62) SMN1; SMN2PPARATSHRCYP2C9TDP1
SCHEMBL8935696 0.87 PPARA (0.61) SMN1; SMN2PPARATSHRPPARGHTR2B
SCHEMBL8935691 0.87 PPARA (0.61) SMN1; SMN2PPARATSHRPPARGHTR2B
SCHEMBL24418979 0.85 TSHR (0.49) SMN1; SMN2PPARATSHRCYP2C9TDP1
SCHEMBL4133846 0.84 SMN1; SMN2 (0.51) SMN1; SMN2PPARACYP2C9TDP1PPARG
SCHEMBL14122192 0.84 SMN1; SMN2 (0.51) SMN1; SMN2PPARACYP2C9TDP1PPARG
SCHEMBL6097869 0.84 SMN1; SMN2 (0.59) SMN1; SMN2PPARATSHRPPARGHTR2B
SCHEMBL5861916 0.84 SMN1; SMN2 (0.59) SMN1; SMN2PPARAPPARGPTGDR2LTB4R
SCHEMBL2597641 0.84 SMN1; SMN2 (0.59) SMN1; SMN2PPARATSHRPPARGHTR2B
SCHEMBL3879629 0.80 SMN1; SMN2 (0.57) SMN1; SMN2PPARATSHRTDP1PPARG

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