Fluorobenzene

Fluorobenzene

SCHEMBL27768313

C=CCS(=O)(=O)N1CCCCC1c1cccc(CC(=O)O)c1.Fc1ccccc1

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.39
CFB P00751 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ACLY P53396 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
KCNQ2 O43526 1/20 0.36
RIPK1 Q13546 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL3928274 0.81 TRPA1 (0.57) FKBP1ATSHRPSEN1PSEN2APH1B
Fluorobenzene SCHEMBL27747055 0.80 PSEN1 (0.36) FKBP1AACLYPSEN1PSEN2APH1B
Fluorobenzene SCHEMBL27747102 0.80 TSHR (0.41) PKMTSHRLMNA
Fluorobenzene SCHEMBL28776689 0.79 PKM (0.39) PKMTSHRSIGMAR1MAPK1
SCHEMBL27746991 0.73 PTGDR2 (0.42) PKMTSHRSIGMAR1LMNAMAPT
Fluorobenzene SCHEMBL28781330 0.72 TSHR (0.39) PKMTSHRLMNAMAPT
SCHEMBL3942322 0.71 TRPA1 (0.47) FKBP1ATSHRPSEN1PSEN2APH1B
Fluorobenzene SCHEMBL27746993 0.71 LMNA (0.41) PKMTSHRLMNAMAPT
1,2-Dichlorobenzene SCHEMBL27768082 0.71 ALDH1A1 (0.40) LMNAMAPT
Chlorobenzene SCHEMBL27747084 0.71 DRD3 (0.39) SIGMAR1

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
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed