SCHEMBL24997001

SCHEMBL24997001

CC(=O)N[C@H]1C(OCc2ccccc2)O[C@H](COCCC(=O)O)[C@@H](OCCC(=O)O)[C@@H]1OCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ MDM2 Q00987 2/20 0.46
▸ SSTR1 P30872 2/20 0.45
▸ SSTR2 P30874 2/20 0.45
▸ SSTR4 P31391 2/20 0.45
▸ SSTR3 P32745 2/20 0.45
▸ SSTR5 P35346 2/20 0.45
▸ TACR1 P25103 2/20 0.44
▸ MDM4 O15151 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ NT5E P21589 1/20 0.41
▸ PTPN1 P18031 3/20 0.41
▸ CDC25B P30305 3/20 0.41
▸ BCHE P06276 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
SCHEMBL15514084 0.88 TP53 (0.55) POLBL3MBTL1LMNAKMT2ATP53
SCHEMBL5840884 0.88 TP53 (0.55) POLBL3MBTL1LMNAKMT2ATP53
SCHEMBL5840927 0.88 TP53 (0.55) POLBL3MBTL1LMNAKMT2ATP53
SCHEMBL16967451 0.88 TP53 (0.55) POLBL3MBTL1LMNAKMT2ATP53
SCHEMBL16628842 0.86 L3MBTL1 (0.58) POLBL3MBTL1LMNAKMT2ATP53
SCHEMBL16628841 0.86 L3MBTL1 (0.58) POLBL3MBTL1LMNAKMT2ATP53
SCHEMBL24996998 0.86 SSTR3 (0.49) POLBL3MBTL1LMNAKMT2ATP53
SCHEMBL7582210 0.85 TP53 (0.55) POLBL3MBTL1LMNAKMT2ATP53
SCHEMBL11173059 0.84 TP53 (0.52) POLBL3MBTL1LMNAKMT2ATP53
SCHEMBL13491599 0.84 POLB (0.52) POLBL3MBTL1LMNAKMT2ATP53

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-2023011597-A1 LIGAND CONJUGATES FOR DELIVERY OF THERAPEUTICALLY ACTIVE AGENTS Hepagene Therapeutics (HK) Limited (CN) 2023-02-09 — — WO disclosed
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