SCHEMBL9766743

SCHEMBL9766743

C=Cc1ccc(S(=O)(=O)NCCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ PKM P14618 6/20 0.52
▸ GAA P10253 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TBXA2R P21731 2/20 0.44

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
SCHEMBL9766713 0.90 ALDH1A1 (0.58) ALDH1A1PKMGAATDP1CYP2C19
SCHEMBL9067423 0.83 TDP1 (0.55) ALDH1A1GAATDP1CYP2C19MEN1
SCHEMBL8658900 0.83 LMNA (0.52) ALDH1A1PKMGAATDP1MEN1
SCHEMBL9067743 0.80 CA12 (0.62) ALDH1A1PKMGAATDP1CYP2C19
SCHEMBL4703731 0.78 CA12 (0.71) ALDH1A1PKMGAAMEN1KMT2A
SCHEMBL5435010 0.78 GAA (0.60) ALDH1A1PKMGAATDP1CYP2C19
SCHEMBL28079518 0.78 CYP3A4 (0.66) ALDH1A1PKMGAACYP2C19MEN1
SCHEMBL812738 0.78 ALDH1A1 (0.75) ALDH1A1PKMGAATDP1CYP2C19
SCHEMBL9067555 0.76 ALDH1A1 (0.61) ALDH1A1TDP1KMT2ALMNAKDM4E
SCHEMBL2009140 0.75 MMP2 (0.61) ALDH1A1PKMGAALMNAKDM4E

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
US-5019269-A Polymers derived from crosslinked polystyrenes and dextrans, their methods of preparation and their applications for the analysis and purification of molecules of biological origin CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1991-05-28 — — US disclosed
US-4950712-A ION EXCHANGING AND AFFINITY CHROMATOGRAPHY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 1990-08-21 — — US disclosed
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