Sugi Predict

Sugi Predict / Compounds / SCHEMBL7905907

SCHEMBL7905907

SCHEMBL7905907

Cc1ccc(S(=O)(=O)OCC(COCCOCCOCC(COCCOCCOCC(COS(=O)(=O)c2ccc(C)cc2)(COS(=O)(=O)c2ccc(C)cc2)COS(=O)(=O)c2ccc(C)cc2)(COCCOCCOCC(COS(=O)(=O)c2ccc(C)cc2)(COS(=O)(=O)c2ccc(C)cc2)COS(=O)(=O)c2ccc(C)cc2)COCCOCCOCC(COS(=O)(=O)c2ccc(C)cc2)(COS(=O)(=O)c2ccc(C)cc2)COS(=O)(=O)c2ccc(C)cc2)(COS(=O)(=O)c2ccc(C)cc2)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ STAT3 P40763 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ VDR P11473 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL7904541 0.94 CA12 (0.46) ALDH1A1CA12CA1CA9STAT3
SCHEMBL7906895 0.94 CA12 (0.46) ALDH1A1CA12CA1CA9STAT3
SCHEMBL12204994 0.92 CA12 (0.47) ALDH1A1CA12CA1CA9STAT3
SCHEMBL20787718 0.92 GAA (0.42) ALDH1A1CA12CA1CA9STAT3
SCHEMBL1742195 0.90 GAA (0.46) ALDH1A1CA12CA1CA9STAT3
SCHEMBL13950708 0.86 ALDH1A1 (0.48) ALDH1A1CA12CA1CA9GAA
SCHEMBL19753862 0.86 CA12 (0.43) ALDH1A1CA12CA1CA9STAT3
SCHEMBL14795271 0.83 CA12 (0.43) ALDH1A1CA12CA1CA9STAT3
SCHEMBL1145153 0.83 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL881292 0.83 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780644-A BRANCHES AND CASCADES OF POLYOXYALKYLENE GLYCOLS; DRUG CARRIERS; CONTRAST AGENTS FOR MEDICAL IMAGING DIBRA S.P.A. (IT) 1998-07-14 — — US claimed
EP-0750649-B1 BRANCHED POLYOXAALKYL MACROMOLECULES, PROCESS FOR MAKING THEM AND THEIR USES BRACCO IMAGING SPA (IT) 2001-12-19 — — EP disclosed
US-5780644-A BRANCHES AND CASCADES OF POLYOXYALKYLENE GLYCOLS; DRUG CARRIERS; CONTRAST AGENTS FOR MEDICAL IMAGING DIBRA S.P.A. (IT) 1998-07-14 — — US disclosed