SCHEMBL10655642

SCHEMBL10655642

O=C(O)C(CC(O)CO)Oc1ccc2c(-c3ccccc3F)noc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.36
▸ PPARG P37231 10/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PPARD Q03181 2/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ CTSA P10619 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL10661841 0.86 MAPT (0.41) PPARAPPARGFFAR4PPARDGPBAR1
SCHEMBL10665880 0.85 PPARA (0.53) PPARAPPARG
SCHEMBL10655640 0.83 PPARG (0.33) PPARAPPARGFFAR4PPARDGPBAR1
SCHEMBL10738125 0.81 PPARG (0.44) PPARAPPARGFFAR4PPARDGPBAR1
SCHEMBL4035353 0.77 FFAR4 (0.44) PPARAPPARGFFAR4PPARDGPBAR1
SCHEMBL10657410 0.76 MAPT (0.41) PPARAPPARGPPARDHPGDMAPT
SCHEMBL10659373 0.76 KDM4E (0.42) PPARAPPARGPPARDGPBAR1PTGS1
SCHEMBL10665132 0.75 PPARA (0.40) PPARAPPARGFFAR4PPARDGPBAR1
SCHEMBL10663114 0.75 PPARA (0.44) PPARAPPARGFFAR4PPARDGPBAR1
SCHEMBL10661218 0.75 MAPT (0.43) PPARAPPARGPPARDCTSAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728662-A DIURETICS, URICOSURICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-03-01 — — US disclosed
US-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 — — US disclosed
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