Fluorobenzene

Fluorobenzene

SCHEMBL7948168

C=CC(COC(C)=O)c1ccc(C)cc1O.CC(C)C(=O)O.Fc1ccccc1

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 3/20 0.35
CHRM1 P11229 2/20 0.35
TRPA1 O75762 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
Fluorobenzene SCHEMBL7951732 0.95 KMT2A (0.37) SRCALDH1A1MEN1HTTKMT2A
Nitrobenzene SCHEMBL7941791 0.86 ITGA4 (0.35) SRCALDH1A1MEN1HTTKMT2A
Anisole SCHEMBL7949773 0.83 MEN1 (0.36) SRCALDH1A1MEN1HTTKMT2A
Nitrobenzene SCHEMBL7948017 0.80 MEN1 (0.35) ALDH1A1MEN1HTTKMT2ANPSR1
Acetic Acid SCHEMBL7951718 0.75 TACR1 (0.39) SRCALDH1A1MEN1HTTKMT2A
Fluorobenzene SCHEMBL7953534 0.71 NPSR1 (0.52) ALDH1A1MEN1HTTKMT2ANPSR1
Fluorobenzene SCHEMBL7941812 0.71 MAPT (0.58) ALDH1A1MEN1HTTKMT2ANPSR1
Thymol SCHEMBL28080455 0.67 TRPA1 (0.78) SRCALDH1A1MEN1HTTKMT2A
Thymol SCHEMBL28146837 0.66 LMNA (0.60) SRCALDH1A1MEN1HTTKMT2A
SCHEMBL28238190 0.65 TRPA1 (0.62) SRCALDH1A1MEN1HTTKMT2A

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-6255517-B1 6-SULFONYLOXYISOPROPENYL-M-CRESOL AND ESTERS Zee, Ok Pyo (KR) 2001-07-03 US disclosed