SCHEMBL17956609

SCHEMBL17956609

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ CYP3A4 P08684 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MMP12 P39900 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP2D6 P10635 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MMP9 P14780 2/20 0.41
▸ TGM2 P21980 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CA12 O43570 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ CA9 Q16790 6/20 0.39
▸ CA1 P00915 5/20 0.39

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
SCHEMBL17911789 0.92 LMNA (0.54) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL17911786 0.92 LMNA (0.54) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL12847513 0.82 LMNA (0.69) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL22927890 0.82 LMNA (0.69) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL16217766 0.82 LMNA (0.69) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL24771437 0.82 LMNA (0.69) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL7147808 0.82 LMNA (0.69) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL20516514 0.82 LMNA (0.69) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL15494655 0.82 LMNA (0.69) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL11223742 0.82 LMNA (0.69) LMNAKMT2AALDH1A1POLBCYP3A4

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-3050893-B1 GLYCOAMINO ACID AND USE THEREOF AJINOMOTO KK (JP) 2020-02-26 — — EP disclosed
EP-3050893-A1 GLYCOAMINO ACID AND USE THEREOF Ajinomoto Co., Inc. (JP) 2016-08-03 — — EP disclosed
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