SCHEMBL8551507

SCHEMBL8551507

CCC(CC(Oc1cc(OCc2ccccc2)ccc1SC)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 1/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 2/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL8549667 0.85 MAOB (0.53) PPARAPPARGPPARDMAOB
SCHEMBL8551123 0.84 PARP15 (0.47) PPARAPPARGPPARDALOX5MAOB
SCHEMBL8545547 0.83 PPARA (0.47) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL8550604 0.83 CYP2D6 (0.50)
SCHEMBL8550070 0.83 KMT2A (0.50) ALOX5MAOBKMT2ASMN1; SMN2FFAR1
SCHEMBL7900651 0.82 FFAR1 (0.44) FFAR1
SCHEMBL7900655 0.82 FFAR1 (0.44) FFAR1
Water SCHEMBL7909230 0.82 FFAR1 (0.43) FFAR1
Water SCHEMBL7909224 0.82 FFAR1 (0.43) FFAR1
SCHEMBL8545384 0.82 PPARA (0.50) PPARAPPARGPPARDMAOBKMT2A

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-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed