SCHEMBL25788683

SCHEMBL25788683

CC(=O)N[C@H]1[C@H](O[C@H]2C(OC(C)=O)[C@@H](NC(C)=O)[C@H](OC(C)=O)O[C@@H]2COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ POLB P06746 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ CYP3A4 P08684 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.52
▸ CYP2D6 P10635 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TGM2 P21980 1/20 0.48
▸ CA2 P00918 9/20 0.46
▸ CA12 O43570 8/20 0.46
▸ CA1 P00915 8/20 0.46
▸ CA9 Q16790 8/20 0.46
▸ CA14 Q9ULX7 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ NR3C1 P04150 1/20 0.44

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
SCHEMBL25788745 1.00 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL4399197 1.00 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL31068056 1.00 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL29838800 0.95 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL10705947 0.95 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL10705633 0.95 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL13308249 0.95 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL10136212 0.95 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL10167799 0.95 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL10526835 0.95 LMNA (0.62) LMNAKMT2APOLBALDH1A1CYP3A4

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-20230213525-A1 DETECTING MICROBIAL INFECTION IN WOUNDS QUALIZYME DIAGNOSTICS GMBH & CO KG (AT) 2023-07-06 — — US disclosed
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