SCHEMBL4452026

SCHEMBL4452026

O=S(=O)(O)c1ccc(-c2ccccc2)cc1.O=S(=O)(O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MMP2 P08253 3/20 0.50
ADAMTS5 Q9UNA0 3/20 0.50
PTGS2 P35354 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PTGS1 P23219 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
FLT1 P17948 2/20 0.48
FLT4 P35916 2/20 0.48
KDR P35968 2/20 0.48

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
SCHEMBL308807 0.92 ALDH1A1 (0.54) TSHRSMN1; SMN2MMP2PTGS2CA1
Chlorobenzene SCHEMBL9364353 0.92 TSHR (0.68) TSHRSMN1; SMN2MMP2PTGS2CA1
SCHEMBL1759743 0.90 TSHR (0.73) TSHRSMN1; SMN2MMP2CA1CA2
Benzene SCHEMBL28284524 0.89 TSHR (0.64) TSHRSMN1; SMN2MMP2CA1CA2
SCHEMBL30029777 0.89 TSHR (0.71) TSHRSMN1; SMN2MMP2CA1CA2
SCHEMBL21993467 0.89 TSHR (0.71) TSHRSMN1; SMN2MMP2CA1CA2
SCHEMBL15849846 0.89 TSHR (0.71) TSHRSMN1; SMN2MMP2CA1CA2
SCHEMBL34718 0.89 TSHR (0.71) TSHRSMN1; SMN2MMP2CA1CA2
SCHEMBL11746268 0.87 TSHR (0.68) TSHRSMN1; SMN2MMP2CA1CA2
Hydrochloric Acid SCHEMBL8381085 0.87 TSHR (0.68) TSHRSMN1; SMN2MMP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144244-A1 Stable compositions of S-adenosyl-l-methionine with dextran HEBERT SAM-E LLC 2003-07-31 US claimed
US-20090012036-A1 Stable S-adenosyl-L-methionine HEBERT SAM-E LLC 2009-01-08 US disclosed
US-20050272687-A1 Stable S-adenosyl-l-methionine HEBERT ROLLAND F 2005-12-08 US disclosed
US-20040063660-A1 Diasteriomers of S-adenosyl-l-methionine and uses thereof HEBERT ROLLAND F (US) 2004-04-01 US disclosed