Fluorobenzene

Fluorobenzene

SCHEMBL7941812

CC(=O)OCC(O)(CO)c1ccc(C)cc1O.CC(C)C(=O)O.Fc1ccccc1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
ACSS2 Q9NR19 1/20 0.38
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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 SCHEMBL7949062 0.94 MAPT (0.53) MAPTALDH1A1POLBACSS2KDM4E
SCHEMBL7949793 0.84 ALDH1A1 (0.81) MAPTALDH1A1POLBACSS2SMN1; SMN2
Acetic Acid SCHEMBL7949781 0.82 POLB (0.81) MAPTALDH1A1POLBACSS2SMN1; SMN2
Anisole SCHEMBL7949799 0.82 ALDH1A1 (0.52) MAPTALDH1A1POLBACSS2KDM4E
SCHEMBL26261032 0.81 ALDH1A1 (0.87) MAPTALDH1A1POLBKDM4ESMN1; SMN2
Nitrobenzene SCHEMBL7949085 0.79 MAPT (0.49) MAPTALDH1A1POLBACSS2HTT
SCHEMBL8528468 0.74 ALDH1A1 (1.00) MAPTALDH1A1POLBKDM4ENPSR1
Acetic Acid SCHEMBL7948062 0.73 POLB (0.49) MAPTALDH1A1POLBKDM4EHPGD
SCHEMBL7813806 0.71 KCNN4 (0.40) MAPTALDH1A1POLBACSS2KDM4E
SCHEMBL7813808 0.71 KCNN4 (0.40) MAPTALDH1A1POLBACSS2KDM4E

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