SCHEMBL28986905

SCHEMBL28986905

O=C(O)CCCCc1ccc(CBr)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
HDAC3 O15379 1/20 0.59
MAPK1 P28482 1/20 0.59
ADRA1A P35348 1/20 0.59
HDAC4 P56524 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HDAC1 Q13547 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
HSD17B10 Q99714 1/20 0.55
FFAR1 O14842 3/20 0.51
TBXAS1 P24557 7/20 0.50

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
SCHEMBL5499163 0.98 MAPT (0.69) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL11724879 0.94 SMN1; SMN2 (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL7065645 0.89 MAPT (0.79) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL18012047 0.88 MAPT (0.66) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL3814880 0.87 MAPT (0.83) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL9671779 0.87 MAPT (0.83) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL7827144 0.85 MAPT (0.80) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL3364938 0.85 FFAR1 (0.65) FFAR1LMNA
SCHEMBL1114650 0.84 MAPT (0.66) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL7825139 0.83 MAPT (0.70) MAPTRXFP1HDAC3MAPK1ADRA1A

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-114249760-B Synthesis and application of fluorescent probe capable of simultaneously distinguishing hypochlorous acid and hydrogen peroxide through three channels 湖南师范大学 2023-04-25 CN disclosed