SCHEMBL29329047

SCHEMBL29329047

CCOC(=O)CCCC1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
ALDH1A1 P00352 12/20 0.40
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL15353132 0.87 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL15353043 0.87 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL13118618 0.84 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL18728345 0.83 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL2797888 0.82 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL7443750 0.82 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL747558 0.82 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL17631724 0.82 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL2795230 0.81 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL20608144 0.81 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151112-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR 주식회사 티움바이오 2024-07-18 WO disclosed
WO-2024151112-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR 주식회사 티움바이오 2024-07-18 WO disclosed