SCHEMBL9619019

SCHEMBL9619019

CCCCCS(=O)(=O)c1cccc(C(=O)O)c1N

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
ALOX15 P16050 1/20 0.43
G6PD P11413 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.40
THRB P10828 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 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
SCHEMBL5490712 0.85 CASP7 (0.50) CA12CA9ALOX15G6PDCASP7
SCHEMBL23748711 0.84 CA12 (0.51) CA12CA9EPHX2TSHRSMN1; SMN2
SCHEMBL8982627 0.84 CA12 (0.61) CA12CA9EPHX2TSHRSMN1; SMN2
SCHEMBL10692989 0.83 CA12 (0.50) CA12CA9EPHX2THRB
SCHEMBL10424214 0.82 G6PD (0.47) CA12CA9ALOX15G6PDCASP7
Acetic Acid SCHEMBL9659072 0.81 ALOX15 (0.44) CA12CA9ALOX15G6PDCASP7
SCHEMBL2925051 0.81 EPHX2 (0.49) EPHX2CA2THRB
SCHEMBL12472341 0.80 CA12 (0.61) CA12CA9EPHX2TSHRSMN1; SMN2
SCHEMBL8666072 0.80 CA12 (0.47) CA12CA9EPHX2TSHRSMN1; SMN2
SCHEMBL7784111 0.79 CA12 (0.52) CA12CA9ALOX15EPHX2TSHR

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
EP-0341536-B1 MIXTURES OF ALKENYLSUCCINIC ACIDS, ARYLSULFONYLANTHRANILIC ACIDS AND ALKANOL AMINES AND THEIR USE AS CORROSION INHIBITORS IN AQUEOUS SYSTEMS BASF Aktiengesellschaft (DE) 1992-01-02 EP claimed