SCHEMBL7033677

SCHEMBL7033677

O=C(O)c1cccc(S(=O)(=O)O)c1.O=C(O)c1ccccc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
IL1RN P18510 1/20 0.49
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
AKR1C3 P42330 5/20 0.47
AKR1C1 Q04828 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
POLB P06746 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
KDM4E B2RXH2 3/20 0.45

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
Benzoic Acid SCHEMBL11339951 0.85 CA1 (0.55) AKR1C3ALDH1A1CA1CA2F2
SCHEMBL29812595 0.85 LCK (0.63) MAPTIL1RNLCKFYNAKR1C3
SCHEMBL981408 0.85 LCK (0.63) MAPTIL1RNLCKFYNAKR1C3
SCHEMBL31042233 0.85 LCK (0.63) MAPTIL1RNLCKFYNAKR1C3
SCHEMBL135795 0.85 LCK (0.63) MAPTIL1RNLCKFYNAKR1C3
SCHEMBL11174349 0.85 LCK (0.63) MAPTIL1RNLCKFYNAKR1C3
SCHEMBL6755323 0.84 POLB (0.55) MAPTIL1RNAKR1C3AKR1C1ALDH1A1
Hydrochloric Acid SCHEMBL10586127 0.84 LCK (0.61) MAPTIL1RNLCKFYNAKR1C3
SCHEMBL2365679 0.84 LCK (0.61) MAPTIL1RNLCKFYNAKR1C3
SCHEMBL20584481 0.84 LCK (0.61) MAPTIL1RNLCKFYNAKR1C3

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-2002079542-A9 IMPROVED ADHESION OF POLYMERIC MATERIALS TO METAL SURFACES ATOTECH DEUTSCHLAND GMBH (DE) 2003-03-20 WO disclosed