SCHEMBL9338908

SCHEMBL9338908

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)C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MMP12 P39900 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CA2 P00918 7/20 0.40
▸ CA9 Q16790 7/20 0.40
▸ CA12 O43570 6/20 0.40
▸ CA1 P00915 6/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2D6 P10635 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PRKCA P17252 1/20 0.34

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
SCHEMBL9338989 0.85 CTSD (0.40) LMNAKMT2AMMP12MMP9POLB
SCHEMBL14342135 0.84 LMNA (0.43) LMNAKMT2AMMP12MMP9POLB
SCHEMBL26394603 0.84 LMNA (0.44) LMNAKMT2AMMP12MMP9POLB
SCHEMBL17287141 0.84 LMNA (0.51) LMNAKMT2AMMP12MMP9POLB
SCHEMBL17287140 0.84 LMNA (0.51) LMNAKMT2AMMP12MMP9POLB
SCHEMBL23077722 0.84 LMNA (0.51) LMNAKMT2AMMP12MMP9POLB
SCHEMBL23627066 0.84 LMNA (0.41) LMNAKMT2AMMP12MMP9POLB
SCHEMBL7302828 0.84 CA2 (0.44) LMNAKMT2AMMP12MMP9POLB
SCHEMBL9335075 0.81 CA1 (0.42) LMNAKMT2AMMP12MMP9POLB
SCHEMBL30608555 0.81 LMNA (0.45) LMNAKMT2AMMP12MMP9POLB

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
EP-0295540-B1 Solid-phase system containing allylic chains, process for its preparation and its use in solid-phase reactions ORPEGEN MED MOLEKULARBIOFORSCH (DE) 1994-05-11 — — EP disclosed
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