SCHEMBL11515380

SCHEMBL11515380

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)NCCCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CA1 P00915 9/20 0.46
▸ CA2 P00918 9/20 0.46
▸ CA9 Q16790 9/20 0.46
▸ CA12 O43570 8/20 0.46
▸ MMP12 P39900 2/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA14 Q9ULX7 5/20 0.40
▸ TSHR P16473 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
SCHEMBL11515374 1.00 LMNA (0.48) LMNAKMT2APOLBALDH1A1CA1
SCHEMBL16393029 0.88 LMNA (0.49) LMNAKMT2APOLBALDH1A1CA1
SCHEMBL16392904 0.86 LMNA (0.51) LMNAKMT2APOLBALDH1A1CA1
SCHEMBL16393023 0.82 LMNA (0.44) LMNAKMT2APOLBALDH1A1CA1
SCHEMBL22559700 0.81 LMNA (0.55) LMNAKMT2APOLBALDH1A1CA1
SCHEMBL21133688 0.78 LMNA (0.50) LMNAKMT2APOLBALDH1A1CA1
Hydrochloric Acid SCHEMBL5741360 0.78 LMNA (0.50) LMNAKMT2APOLBALDH1A1CA1
SCHEMBL11516889 0.78 LMNA (0.44) LMNAKMT2APOLBALDH1A1CA1
SCHEMBL24834124 0.77 LMNA (0.56) LMNAKMT2APOLBALDH1A1CA1
SCHEMBL6232438 0.77 LMNA (0.56) LMNAKMT2APOLBALDH1A1CA1

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