SCHEMBL30397102

SCHEMBL30397102

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCCC2)C1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.66
HPGD P15428 2/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
EPHX1 P07099 2/20 0.46
CTSK P43235 2/20 0.45
CDK9 P50750 1/20 0.44
GAA P10253 1/20 0.44
HSD11B1 P28845 2/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PREP P48147 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL13240716 0.90 BTK (0.63) BTKHPGDCA1CA2EPHX1
SCHEMBL19054658 0.90 BTK (0.63) BTKHPGDCA1CA2EPHX1
SCHEMBL20416155 0.90 BTK (0.63) BTKHPGDCA1CA2EPHX1
SCHEMBL23708984 0.89 HPGD (0.56) BTKHPGDCA1CA2EPHX1
SCHEMBL23684119 0.89 HPGD (0.56) BTKHPGDCA1CA2EPHX1
SCHEMBL30397928 0.88 BTK (0.61) BTKHPGDCA1CA2EPHX1
SCHEMBL29983871 0.85 BTK (0.58) BTKHPGDCA1CA2EPHX1
SCHEMBL1159629 0.84 CA1 (0.67) BTKHPGDCA1CA2EPHX1
SCHEMBL1159627 0.84 CA1 (0.67) BTKHPGDCA1CA2EPHX1
SCHEMBL19215254 0.83 BTK (0.61) BTKHPGDCA1CA2EPHX1

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