SCHEMBL11446573

SCHEMBL11446573

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.42
▸ FNTA P49354 4/20 0.41
▸ FNTB P49356 4/20 0.41
▸ PGGT1B P53609 3/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ MME P08473 1/20 0.38
▸ ANPEP P15144 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
SCHEMBL11455957 0.97 PTPN1 (0.44) LMNAKMT2AFNTAFNTBPGGT1B
SCHEMBL11125479 0.92 LMNA (0.51) LMNAKMT2APTPN1ALDH1A1MME
SCHEMBL10653360 0.89 LMNA (0.48) LMNAKMT2AFNTAFNTBPGGT1B
SCHEMBL10657196 0.89 LMNA (0.48) LMNAKMT2AFNTAFNTBPGGT1B
SCHEMBL11129156 0.89 HTT (0.39) LMNAKMT2AFNTAFNTBPGGT1B
SCHEMBL10654417 0.87 LMNA (0.47) LMNAKMT2AFNTAFNTBPGGT1B
SCHEMBL10657996 0.87 LMNA (0.47) LMNAKMT2AFNTAFNTBPGGT1B
SCHEMBL10653336 0.86 FNTA (0.49) LMNAKMT2AFNTAFNTBPGGT1B
SCHEMBL10655585 0.86 FNTA (0.49) LMNAKMT2AFNTAFNTBPGGT1B
SCHEMBL11124423 0.84 LMNA (0.42) LMNAFNTAFNTBPTPN1MME

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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