SCHEMBL28474870

SCHEMBL28474870

COC(=O)[C@H](CO[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.58
▸ KMT2A Q03164 1/20 0.56
▸ POLB P06746 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CTSL P07711 2/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSK P43235 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ KYNU Q16719 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ CA12 O43570 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
SCHEMBL28474871 1.00 LMNA (0.58) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL29961368 1.00 LMNA (0.58) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL2007087 0.86 LMNA (0.76) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL2007088 0.86 LMNA (0.76) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL12837317 0.86 LMNA (0.76) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL19903806 0.84 LMNA (0.59) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL2006966 0.83 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL2006970 0.83 LMNA (0.60) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL20857679 0.82 CYP2D6 (0.54) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL17227495 0.81 LMNA (0.51) LMNAKMT2APOLBALDH1A1CYP2D6

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
CN-111867623-B TOLL-like receptor ligands 英尼穆内公司 2024-06-04 — — CN disclosed
CN-111867623-A TOLL-like receptor ligands 英尼穆内公司 2020-10-30 — — CN disclosed
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