SCHEMBL1742579

SCHEMBL1742579

CC(C)(C)OC(=O)NCCCOc1cc(C(=O)O)nc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.54
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA9 Q16790 6/20 0.54
SUCNR1 Q9BXA5 5/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDK2 Q15119 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A43 Q9HB55 1/20 0.43
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42

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
SCHEMBL31721009 0.88 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL16450757 0.86 CA12 (0.64) CA12CA1CA2CA9SUCNR1
SCHEMBL1743881 0.85 CA12 (0.50) CA12CA1CA2CA9SUCNR1
SCHEMBL31245937 0.84 CA12 (0.56) CA12CA1CA2CA9SUCNR1
SCHEMBL1743953 0.82 CA12 (0.51) CA12CA1CA2CA9SUCNR1
SCHEMBL1742620 0.82 CA12 (0.54) CA12CA1CA2CA9SUCNR1
SCHEMBL526360 0.81 CA12 (0.49) CA12CA1CA2CA9SUCNR1
SCHEMBL15140175 0.81 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL30915250 0.81 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL30688723 0.80 CA12 (0.47) CA12CA1CA2CA9SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4525939-A2 RADIOIMMUNOCONJUGATES AND THERAPEUTIC USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-03-26 EP disclosed
WO-2023225408-A2 RADIOIMMUNOCONJUGATES AND THERAPEUTIC USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-23 WO disclosed
EP-1981889-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2014-01-15 EP disclosed
EP-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP disclosed
US-20110254808-A1 REFLECTIVE TOUCH DISPLAY PANEL AND MANUFACTURING METHOD THEREOF AU OPTRONICS CORPORATION (TW) 2011-10-20 US disclosed
EP-2371827-A1 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-10-05 EP disclosed