SCHEMBL11124239

SCHEMBL11124239

CCCCCCOC(F)(F)C(O)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.50
CES2 O00748 3/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
FAAH O00519 7/20 0.38
LPAR3 Q9UBY5 6/20 0.38
LPAR2 Q9HBW0 5/20 0.38
LPAR1 Q92633 2/20 0.38
NAAA Q02083 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7560049 0.88 CES1 (0.53) CES1CES2MEN1KMT2ATHRB
SCHEMBL7558796 0.88 CES1 (0.47) CES1CES2MEN1KMT2ATHRB
SCHEMBL7558673 0.88 CES1 (0.47) CES1CES2MEN1KMT2ATHRB
SCHEMBL7566221 0.88 CES1 (0.47) CES1CES2MEN1KMT2ATHRB
SCHEMBL26614408 0.82 CES1 (0.53) CES1CES2MEN1KMT2ATHRB
SCHEMBL20583956 0.79 CES1 (0.35) CES1CES2
SCHEMBL7560064 0.79 TSHR (0.45) CES1CES2MEN1KMT2ATHRB
SCHEMBL11124236 0.78 CES2 (0.46) CES1CES2MEN1KMT2AFAAH
SCHEMBL28697618 0.78 CES1 (0.46) CES1CES2MEN1KMT2ATHRB
SCHEMBL7565286 0.78 CES1 (0.37) CES1CES2FAAH

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-0041145-B1 ARALKYL-PHENYL UREAS AND THEIR HERBICIDAL COMPOSITIONS BASF Aktiengesellschaft (DE) 1984-12-19 EP claimed