SCHEMBL30397928

SCHEMBL30397928

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCOCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.61
RECQL P46063 1/20 0.55
EPHX2 P34913 2/20 0.55
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
USP2 O75604 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CTSK P43235 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.42
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK9 P50750 1/20 0.41
POLB P06746 1/20 0.40
EPHX1 P07099 1/20 0.40
CTSD P07339 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 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
SCHEMBL30397102 0.88 BTK (0.66) BTKEPHX2CA1CA2SMN1; SMN2
SCHEMBL20416155 0.86 BTK (0.63) BTKRECQLEPHX2CA1CA2
SCHEMBL19054658 0.86 BTK (0.63) BTKRECQLEPHX2CA1CA2
SCHEMBL13240716 0.86 BTK (0.63) BTKRECQLEPHX2CA1CA2
SCHEMBL1226780 0.86 RECQL (0.63) BTKRECQLCA1CA2USP2
SCHEMBL2296901 0.86 RECQL (0.63) BTKRECQLCA1CA2USP2
SCHEMBL29983871 0.81 BTK (0.58) BTKRECQLCA1CA2SMN1; SMN2
SCHEMBL1159629 0.78 CA1 (0.67) BTKCA1CA2CTSKHPGD
SCHEMBL1159627 0.78 CA1 (0.67) BTKCA1CA2CTSKHPGD
SCHEMBL7205713 0.78 BTK (0.78) BTKEPHX2CA1CA2CTSK

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed