SCHEMBL4742722

SCHEMBL4742722

O=[N+](O)c1ccccc1CCOS(=O)(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL4742721 0.76 ALDH1A1 (0.50) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL9482054 0.75 ALDH1A1 (0.49) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL4742687 0.74 ALDH1A1 (0.37) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL5659597 0.73 ALDH1A1 (0.50) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL29003472 0.72 TAAR1 (0.44) ALDH1A1TSHRMAPT
SCHEMBL14417279 0.68 GABRA1 (0.44) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL6105419 0.68 ALDH1A1 (0.48) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL32679667 0.68 ALDH1A1 (0.48) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL7135820 0.67 ALDH1A1 (0.60) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL3846725 0.66 TDP1 (0.50) ALDH1A1TSHRNPC1RECQLRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124202-A2 HOLLOW MICROSPHERE PARTICLES BECKMAN COULTER, INC. (US) 2008-10-16 WO disclosed
WO-2008095007-A1 HOLLOW MICROSPHERES PARTICLES BECKMAN COULTER, INC. (US) 2008-08-07 WO disclosed