SCHEMBL24997002

SCHEMBL24997002

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.43
▸ POLB P06746 1/20 0.41
▸ PTPN1 P18031 5/20 0.41
▸ CDC25B P30305 5/20 0.41
▸ PTPN2 P17706 4/20 0.41
▸ CDC25A P30304 3/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ MDM2 Q00987 2/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ KLK7 P49862 3/20 0.39
▸ KLK5 Q9Y337 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38

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
SCHEMBL24996998 0.88 SSTR3 (0.49) TACR1POLBTP53MDM2L3MBTL1
SCHEMBL30980693 0.83 PTPN1 (0.47) TACR1POLBPTPN1CDC25BPTPN2
SCHEMBL24997001 0.82 POLB (0.50) TACR1POLBPTPN1CDC25BTP53
SCHEMBL15514995 0.79 PTPN1 (0.55) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL16967451 0.77 TP53 (0.55) POLBPTPN1CDC25BPTPN2PTPN6
SCHEMBL5840884 0.77 TP53 (0.55) POLBPTPN1CDC25BPTPN2PTPN6
SCHEMBL5840927 0.77 TP53 (0.55) POLBPTPN1CDC25BPTPN2PTPN6
SCHEMBL15514084 0.77 TP53 (0.55) POLBPTPN1CDC25BPTPN2PTPN6
SCHEMBL7582210 0.75 TP53 (0.55) POLBPTPN1CDC25BPTPN2PTPN6
SCHEMBL26780343 0.74 LMNA (0.53) TACR1POLBLMNAKMT2ACYP3A4

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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