SCHEMBL11134541

SCHEMBL11134541

CSCC[C@H](NC(=O)[C@H](Cc1cccc(N(CCCl)CCCl)c1)NC(=O)C(C)Nc1ccc(F)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ FNTA P49354 5/20 0.39
▸ FNTB P49356 5/20 0.39
▸ PGGT1B P53609 5/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL10653336 0.86 FNTA (0.49) PTPN1LTA4HSMN1; SMN2LMNAFNTA
SCHEMBL10655585 0.86 FNTA (0.49) PTPN1LTA4HSMN1; SMN2LMNAFNTA
SCHEMBL11455957 0.85 PTPN1 (0.44) PTPN1LTA4HLMNAFNTAFNTB
SCHEMBL10654417 0.84 LMNA (0.47) PTPN1SMN1; SMN2LMNAFNTAFNTB
SCHEMBL10657996 0.84 LMNA (0.47) PTPN1SMN1; SMN2LMNAFNTAFNTB
SCHEMBL10657196 0.83 LMNA (0.48) PTPN1SMN1; SMN2LMNAFNTAFNTB
SCHEMBL10653360 0.83 LMNA (0.48) PTPN1SMN1; SMN2LMNAFNTAFNTB
SCHEMBL11446573 0.82 LMNA (0.46) PTPN1LTA4HLMNAFNTAFNTB
Ambamustine SCHEMBL62822 0.77 LMNA (0.41) PTPN1SMN1; SMN2LMNAFNTAFNTB
SCHEMBL11129156 0.77 HTT (0.39) PTPN1SMN1; SMN2LMNAFNTAFNTB

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
EP-0056565-B1 DERIVATIVES OF DI(-2-CHLOROETHYL) AMINOPHENYL ALANINE WITH ANTITUMOUR ACTIVITY PROTER S.p.A. (IT) 1984-12-05 — — EP claimed
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