SCHEMBL9524271

SCHEMBL9524271

CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1NC(=O)CCCN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.49
▸ CA2 P00918 7/20 0.49
▸ CA9 Q16790 7/20 0.49
▸ CA12 O43570 6/20 0.49
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PRKCA P17252 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ MMP12 P39900 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CA14 Q9ULX7 3/20 0.41
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL9735191 1.00 CA1 (0.49) CA1CA2CA9CA12LMNA
SCHEMBL16392573 0.91 CA1 (0.49) CA1CA2CA9CA12LMNA
SCHEMBL16392618 0.89 LMNA (0.50) CA1CA2CA9CA12LMNA
SCHEMBL16009284 0.89 CA12 (0.59) CA1CA2CA9CA12PRKCA
SCHEMBL21133688 0.87 LMNA (0.50) CA1CA2CA9CA12LMNA
SCHEMBL24997325 0.87 LMNA (0.48) CA1CA2CA9CA12LMNA
SCHEMBL14304830 0.84 LMNA (0.62) CA1CA2CA9CA12LMNA
SCHEMBL16392904 0.84 LMNA (0.51) CA1CA2CA9CA12LMNA
SCHEMBL22559700 0.81 LMNA (0.55) CA1CA2CA9CA12LMNA
SCHEMBL4616897 0.81 CA12 (0.52) CA1CA2CA9CA12LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533692-A1 MITOMYCIN DERIVATIVES HAVING REDUCED BONE MARROW TOXICITY, PROCESSES FOR THEIR PREPARATION, AND THE USES THEREOF GEORGETOWN UNIVERSITY (US) 1993-03-31 — — EP disclosed
US-5091523-A Bactericides, antitumor agent GEORGETOWN UNIVERSITY (US) 1992-02-25 — — US disclosed
WO-1991016049-A1 MITOMYCIN DERIVATIVES HAVING REDUCED BONE MARROW TOXICITY, PROCESSES FOR THEIR PREPARATION, AND THE USES THEREOF GEORGETOWN UNIVERSITY (US) 1991-10-31 — — WO disclosed
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