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SCHEMBL15030397

SCHEMBL15030397

O=S(=O)(O)c1cc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)c5ccc(S(=O)(=O)c6ccc(F)c(S(=O)(=O)O)c6)cc5S(=O)(=O)O)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.39
▸ TET2 Q6N021 1/20 0.35
▸ GRM5 P41594 4/20 0.35
▸ CNR1 P21554 4/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ HTR2C P28335 3/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ KIF11 P52732 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ HTR2B P41595 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL15030401 0.88 CNR1 (0.42) VCAM1CNR1HSD11B1CNR2HTR2C
SCHEMBL7623197 0.87 VCAM1 (0.48) VCAM1TET2HSD11B1HTR2CHTR2A
SCHEMBL6007987 0.87 VCAM1 (0.48) VCAM1TET2HSD11B1HTR2CHTR2A
SCHEMBL30475007 0.87 VCAM1 (0.48) VCAM1TET2HSD11B1HTR2CHTR2A
SCHEMBL249875 0.87 VCAM1 (0.48) VCAM1TET2HSD11B1HTR2CHTR2A
SCHEMBL25203443 0.85 VCAM1 (0.47) VCAM1TET2HSD11B1HTR2CHTR2A
SCHEMBL28707093 0.85 VCAM1 (0.47) VCAM1TET2HSD11B1HTR2CHTR2A
SCHEMBL4581128 0.85 VCAM1 (0.47) VCAM1TET2HSD11B1HTR2CHTR2A
SCHEMBL3097348 0.85 VCAM1 (0.47) VCAM1TET2HSD11B1HTR2CHTR2A
SCHEMBL4553485 0.83 TET2 (0.41) TET2

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
WO-2013085463-A1 POLYMERIC MATERIAL COMPRISING ORTHO-POSITIONED ACIDIC GROUPS TAKAMUKU SHOGO (SE) 2013-06-13 — — WO disclosed