SCHEMBL11222002

SCHEMBL11222002

CCCCCc1ccc(OC)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
KDM4E B2RXH2 2/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.47

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
SCHEMBL19309371 0.98 PPARG (0.56) PPARGPPARA
SCHEMBL19049501 0.95 KDM4E (0.50) PPARGPPARAKDM4EMITFALDH1A1
SCHEMBL21322009 0.89 RARB (0.50) PPARGPPARA
SCHEMBL9921235 0.87 KDM4E (0.52) KDM4EMITFALDH1A1HTTATM
SCHEMBL10979395 0.87 RARB (0.58) PPARGPPARA
SCHEMBL12740134 0.86 RARB (0.48) PPARGPPARA
SCHEMBL28733753 0.86 KDM4E (0.56) KDM4EATM
SCHEMBL10978885 0.86 RARB (0.60) PPARGPPARA
SCHEMBL10980040 0.86 RARB (0.60) PPARGPPARA
SCHEMBL10986661 0.86 RARB (0.60) PPARGPPARA

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-4366330-A A FLUOROPHENOL CAPABLE OF BEING REACTED WITH AN ARYL OR CYCLOALKYL CARBOXYLIC ACID TO PRODUCT AN ESTER BCH CHEMICALS LIMITED (GB) 1982-12-28 US disclosed