SCHEMBL25501736

SCHEMBL25501736

C=CCCC(=O)Nc1cccc(B(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.52
NAMPT P43490 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.41
ESRRG P62508 4/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
BTK Q06187 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL31303722 0.87 NLRP3 (0.56) NLRP3TRPV1GAAMAPTMEN1
SCHEMBL28997258 0.82 MEN1 (0.66) NAMPTMEN1KMT2ANPC1HDAC3
SCHEMBL30225952 0.82 MEN1 (0.66) NAMPTMEN1KMT2ANPC1HDAC3
SCHEMBL15700203 0.81 NLRP3 (0.56) NLRP3TRPV1GAAMAPTMEN1
SCHEMBL21788586 0.81 NLRP3 (0.56) NLRP3TRPV1GAAMAPTMEN1
SCHEMBL14756765 0.81 NLRP3 (0.56) NLRP3TRPV1GAAMAPTMEN1
SCHEMBL1810118 0.81 L3MBTL1 (0.57) NLRP3GAAMAPTMEN1KMT2A
SCHEMBL1810116 0.81 L3MBTL1 (0.57) NLRP3GAAMAPTMEN1KMT2A
SCHEMBL15985297 0.81 NLRP3 (0.59) NLRP3MAPT
SCHEMBL823968 0.79 HDAC4 (0.62) NAMPTGAAMAPTMEN1KMT2A

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-20230159827-A1 LIQUID CRYSTAL COMPOSITION, FLUORINE-CONTAINING POLYMER, OPTICALLY ANISOTROPIC LAYER, LAMINATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-05-25 US disclosed