SCHEMBL7932729

SCHEMBL7932729

COC(=O)C1(NC(=O)OC(C)(C)C)CC(COS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL21946034 0.86 MEN1 (0.34) MEN1MAPK1KMT2ACA12CA14
SCHEMBL14640259 0.81 MEN1 (0.34) MEN1MAPK1KMT2ACA12CA14
SCHEMBL2671553 0.81 MEN1 (0.34) MEN1MAPK1KMT2ACA12CA14
SCHEMBL7926354 0.78 KMT2A (0.38) MEN1MAPK1KMT2ACA12CA14
SCHEMBL21946033 0.78 KMT2A (0.38) MEN1MAPK1KMT2ACA12CA14
SCHEMBL28386213 0.78 KMT2A (0.35) MEN1MAPK1KMT2ACA12CA14
SCHEMBL28776779 0.76 MEN1 (0.33) MEN1MAPK1KMT2A
SCHEMBL30894058 0.75 MEN1 (0.40) MEN1MAPK1KMT2A
SCHEMBL7936536 0.74 PPARA (0.43) KMT2ACA12CA14CA1CA7
SCHEMBL21945819 0.74 CTSK (0.39) MEN1MAPK1KMT2A

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
EP-0862464-A4 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2001-07-25 EP disclosed
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed