SCHEMBL11516889

SCHEMBL11516889

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)N(CCCl)N=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ MMP12 P39900 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ CA1 P00915 7/20 0.43
▸ CA2 P00918 7/20 0.43
▸ CA9 Q16790 7/20 0.43
▸ CA12 O43570 6/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP2D6 P10635 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ADRA2A P08913 3/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL11516890 1.00 LMNA (0.44) LMNAKMT2AALDH1A1POLBMMP12
SCHEMBL11507787 0.90 CA12 (0.51) ALDH1A1MMP12MMP9CA1CA2
SCHEMBL11507566 0.90 CA12 (0.51) ALDH1A1MMP12MMP9CA1CA2
SCHEMBL29737839 0.86 LMNA (0.52) LMNAKMT2AALDH1A1POLBCA1
SCHEMBL11510647 0.80 CA12 (0.52) MMP12MMP9CA1CA2CA9
SCHEMBL16392904 0.80 LMNA (0.51) LMNAKMT2AALDH1A1POLBMMP12
SCHEMBL11507781 0.79 ADRA2A (0.43) LMNAKMT2AALDH1A1MMP12MMP9
SCHEMBL11507523 0.78 CA12 (0.50) MMP12MMP9CA1CA2CA9
SCHEMBL11515374 0.78 LMNA (0.48) LMNAKMT2AALDH1A1POLBMMP12
SCHEMBL11515380 0.78 LMNA (0.48) LMNAKMT2AALDH1A1POLBMMP12

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
US-4157439-A ANTITUMOR, LOW TOXICITY, NONHYDROLYZING SUAMI T (JP) 1979-06-05 — — US claimed
US-4157439-A ANTITUMOR, LOW TOXICITY, NONHYDROLYZING SUAMI T (JP) 1979-06-05 — — US disclosed
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