SCHEMBL15789727

SCHEMBL15789727

CC(c1ccc(OCc2cnc(OC(=O)O)cn2)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.34
FFAR1 O14842 1/20 0.33
ALOX5AP P20292 1/20 0.31
PPARG P37231 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL15789903 0.93 ACACB (0.33) LNPEPFFAR1
SCHEMBL15789770 0.89 HRH3 (0.34)
SCHEMBL479579 0.88 CHRM3 (0.34) LNPEPFFAR1PPARGMRGPRX4
SCHEMBL15789781 0.86 FFAR1 (0.34) FFAR1MRGPRX4
SCHEMBL479914 0.85 RXRA (0.33) LNPEPFFAR1ALOX5APMRGPRX4
SCHEMBL479858 0.85 MRGPRX4 (0.36) LNPEPFFAR1ALOX5APPPARGMRGPRX4
SCHEMBL15789731 0.85 ACACB (0.34) FFAR1
SCHEMBL15789813 0.82 HRH3 (0.34)
SCHEMBL15789827 0.82 HRH3 (0.34)
SCHEMBL479890 0.82 TLR4 (0.33) ALOX5APMRGPRX4

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-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP claimed