SCHEMBL20309014

SCHEMBL20309014

O=C(O)C1Cc2cccc([S+]([O-])N3CCN(c4ccc(OC(F)(F)F)cn4)CC3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.46
CHRM4 P08173 3/20 0.41
NOTUM Q6P988 1/20 0.39
LCAT P04180 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
SERPINE1 P05121 1/20 0.34
OPRL1 P41146 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.34
GPR183 P32249 1/20 0.34
SMO Q99835 1/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL20308939 0.87 LMNA (0.48) SERPINE1KDM4EABL1LMNAL3MBTL1
SCHEMBL20308994 0.87 PPARD (0.55) PPARDCHRM4NOTUMCHRM2FFAR4
SCHEMBL20309127 0.86 PPARD (0.52) PPARDCHRM4NOTUMLCATCHRM2
SCHEMBL1471219 0.81 PPARD (0.59) PPARDCHRM4NOTUMLCATCHRM2
SCHEMBL20309102 0.79 PPARD (0.43) PPARDNOTUMLMNA
SCHEMBL20309094 0.77 NOTUM (0.40) PPARDNOTUMSERPINE1KDM4ELMNA
SCHEMBL20309163 0.77 PPARD (0.61) PPARDCHRM4NOTUMCHRM2CHRM1
SCHEMBL20309022 0.76 NOTUM (0.46) PPARDNOTUMSERPINE1
SCHEMBL20308962 0.76 NOTUM (0.40) PPARDNOTUMLMNA
SCHEMBL20309033 0.76 LMNA (0.42) PPARDCHRM2CHRM1SERPINE1KDM4E

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
EP-1805158-B1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS INC (US) 2018-06-27 EP disclosed