SCHEMBL11455957

SCHEMBL11455957

CSCC[C@H](NC(=O)[C@H](Cc1cccc(N(CCCl)CCCl)c1)NC(=O)[C@H](Cc1ccc(F)cc1)NC=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ FNTA P49354 8/20 0.43
▸ FNTB P49356 8/20 0.43
▸ PGGT1B P53609 4/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL11446573 0.97 LMNA (0.46) PTPN1LMNAFNTAFNTBPGGT1B
SCHEMBL11129156 0.91 HTT (0.39) PTPN1LMNAFNTAFNTBPGGT1B
SCHEMBL11125479 0.90 LMNA (0.51) PTPN1LMNAKMT2A
SCHEMBL10653336 0.89 FNTA (0.49) PTPN1LMNAFNTAFNTBPGGT1B
SCHEMBL10655585 0.89 FNTA (0.49) PTPN1LMNAFNTAFNTBPGGT1B
SCHEMBL10657996 0.87 LMNA (0.47) PTPN1LMNAFNTAFNTBPGGT1B
SCHEMBL10654417 0.87 LMNA (0.47) PTPN1LMNAFNTAFNTBPGGT1B
SCHEMBL10653360 0.86 LMNA (0.48) PTPN1LMNAFNTAFNTBPGGT1B
SCHEMBL10657196 0.86 LMNA (0.48) PTPN1LMNAFNTAFNTBPGGT1B
SCHEMBL11134541 0.85 PTPN1 (0.41) PTPN1LMNAFNTAFNTBPGGT1B

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
US-4216208-A N-Acyl derivatives of glucosamines having antitumor chemotherapeutic activity PROTER S.P.A. (IT) 1980-08-05 — — US disclosed
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