SCHEMBL11226520

SCHEMBL11226520

CCCCCc1ccc(F)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.53
PTGS2 P35354 4/20 0.53
HTR2A P28223 1/20 0.49
PPARA Q07869 1/20 0.47
ELANE P08246 2/20 0.46
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
TYR P14679 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44

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
SCHEMBL19236882 0.95 ALOX5 (0.46) ALOX5PTGS2HTR2AELANETYR
SCHEMBL8450825 0.87 HMGCR (0.52) ELANEMAPTTSHRHTTSLC6A2
SCHEMBL12377642 0.83 TSHR (0.46) ALOX5PTGS2HTR2AMEN1TP53
SCHEMBL19304392 0.82 SLC6A2 (0.52) ALOX5PTGS2HTR2ASLC6A2SLC6A4
SCHEMBL22939735 0.81 APLNR (0.56) ALOX5PTGS2HTR2AMEN1TSHR
SCHEMBL14461646 0.80 TYR (0.49) ALOX5PTGS2PPARAELANEMEN1
SCHEMBL8342657 0.80 KDM4E (0.47) HTR2AMEN1MAPTTSHRHTT
SCHEMBL28104222 0.79 HTR2A (0.49) ALOX5PTGS2HTR2APPARAMEN1
SCHEMBL30358658 0.79 MEN1 (0.56) ALOX5PTGS2HTR2AMEN1TSHR
SCHEMBL1171776 0.79 MEN1 (0.56) ALOX5PTGS2HTR2AMEN1TSHR

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