SCHEMBL8697661

SCHEMBL8697661

CCCCC(=O)OC1C=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
RET P07949 1/20 0.39
BCHE P06276 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
NAAA Q02083 2/20 0.35
ALOX15 P16050 2/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 4/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 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
SCHEMBL8696819 0.96 NAAA (0.40) KDM4EMEN1KMT2ARECQLRET
SCHEMBL28961922 0.94 NAAA (0.42) RETCES2CES1NAAAALOX15
SCHEMBL21903818 0.94 NAAA (0.42) RETCES2CES1NAAAALOX15
SCHEMBL28353564 0.94 NAAA (0.42) RETCES2CES1NAAAALOX15
SCHEMBL3805975 0.91 RET (0.38) KDM4EMEN1KMT2ARETCES2
Acetic Acid SCHEMBL29234156 0.91 NAAA (0.40) KDM4EMEN1KMT2ARECQLCES2
SCHEMBL28023451 0.85 KDM4E (0.34) KDM4EMEN1KMT2ARECQLRET
SCHEMBL6273664 0.85 RET (0.39) KDM4EMEN1KMT2ARETBCHE
SCHEMBL3810658 0.82 MAPT (0.49) CES1SMN1; SMN2MAPK1
SCHEMBL28022906 0.82 POLM (0.36) MEN1KMT2ANAAAALOX15SMN1; SMN2

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-5731464-A AZIDE INTERMEDIATES CHISSO CORPORATION (JP) 1998-03-24 US disclosed