SCHEMBL25414623

SCHEMBL25414623

CCC(CC)COC(=O)[C@H](C)N[PH]1(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DUT P33316 4/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ ENTPD2 Q9Y5L3 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
SCHEMBL25414625 0.79 DHFR (0.39) MEN1KMT2ADUTTDP1CYP3A4
SCHEMBL31614593 0.79 DHFR (0.39) MEN1KMT2ADUTTDP1CYP3A4
SCHEMBL15880881 0.69 CYP3A4 (0.40) MEN1KMT2ADUTTDP1CYP3A4
SCHEMBL25416162 0.68 LMNA (0.39) —
SCHEMBL22589645 0.67 MEN1 (0.37) MEN1KMT2ADUTCYP3A4CYP2C9
SCHEMBL31614576 0.66 DHFR (0.45) —
SCHEMBL18512754 0.65 DUT (0.37) MEN1KMT2ADUTCYP3A4CYP2C9
SCHEMBL21178129 0.63 LMNA (0.44) —
SCHEMBL30404892 0.63 POLG (0.37) —
SCHEMBL25752564 0.62 DUT (0.51) DUT

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-2023081105-A1 CYCLIC PHOSPHORAMIDATE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-05-11 — — WO disclosed
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