SCHEMBL11129156

SCHEMBL11129156

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPID Q08752 1/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ MME P08473 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ PSMB8 P28062 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ FNTA P49354 4/20 0.34
▸ FNTB P49356 4/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL11124423 0.94 LMNA (0.42) LMNASMN1; SMN2PPIDPTPN1MME
SCHEMBL10972441 0.91 LMNA (0.43) LMNASMN1; SMN2PSMB8PSMB5KMT2A
SCHEMBL11455957 0.91 PTPN1 (0.44) LMNAPTPN1FNTAFNTBPGGT1B
Ambamustine SCHEMBL62822 0.90 LMNA (0.41) HTTLMNASMN1; SMN2PPIDPTPN1
Ambamustine SCHEMBL1419557 0.89 LMNA (0.40) HTTLMNASMN1; SMN2PPIDPTPN1
SCHEMBL11446573 0.89 LMNA (0.46) LMNAPTPN1MMEANPEPFNTA
SCHEMBL11127008 0.82 SMN1; SMN2 (0.46) LMNASMN1; SMN2PPIDMMEANPEP
SCHEMBL11125479 0.82 LMNA (0.51) LMNASMN1; SMN2PTPN1MMEKMT2A
Hydrochloric Acid SCHEMBL11124542 0.81 SMN1; SMN2 (0.45) LMNASMN1; SMN2PPIDMMEANPEP
SCHEMBL10653336 0.80 FNTA (0.49) LMNASMN1; SMN2PTPN1FNTAFNTB

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 2 patents. 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 disclosed
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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