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Sugi Predict / Compounds / SCHEMBL25962089

SCHEMBL25962089

SCHEMBL25962089

CCCOCCOCCOCCOCCC(=O)NCC1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2C[C@H](O)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O2)C(O)C(O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.54
▸ KRAS P01116 11/20 0.53
▸ TGM2 P21980 1/20 0.51
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ HINT1 P49773 3/20 0.46
▸ FUT6 P51993 1/20 0.45
▸ NT5E P21589 1/20 0.44

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
SCHEMBL25962870 0.89 KRAS (0.48) FUT5KRASTGM2P2RY2P2RY4
SCHEMBL25964115 0.89 KRAS (0.49) FUT5KRASTGM2P2RY2P2RY4
SCHEMBL25964287 0.86 FUT5 (0.54) FUT5KRASTGM2P2RY2P2RY4
SCHEMBL25964109 0.86 FUT5 (0.62) FUT5KRASTGM2P2RY2P2RY4
SCHEMBL25962160 0.86 KRAS (0.47) FUT5KRASTGM2P2RY2P2RY4
SCHEMBL25898025 0.84 KRAS (0.59) FUT5KRASTGM2HINT1FUT6
SCHEMBL25892798 0.84 KRAS (0.61) FUT5KRASTGM2P2RY2P2RY4
SCHEMBL25892795 0.84 KRAS (0.61) FUT5KRASTGM2P2RY2P2RY4
SCHEMBL25964288 0.83 B4GALT1 (0.37) FUT5KRASTGM2P2RY2P2RY4
SCHEMBL25892915 0.83 KRAS (0.60) FUT5KRASTGM2HINT1FUT6

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-2023141856-A1 CD3-TARGETING MULTISPECIFIC ANTIBODY AND USE THEREOF 岩唐生物科技(杭州)有限责任公司 2023-08-03 — — WO disclosed