SCHEMBL9473749

SCHEMBL9473749

CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.65
▸ LMNA P02545 3/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MMP12 P39900 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MMP9 P14780 2/20 0.41
▸ TGM2 P21980 1/20 0.40
▸ PAX8 Q06710 1/20 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
SCHEMBL9472221 0.94 POLB (0.66) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL8931470 0.90 POLB (0.79) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL21097453 0.90 POLB (0.79) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL8931476 0.90 POLB (0.79) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL9472639 0.89 POLB (0.53) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL9472933 0.88 POLB (0.51) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL8332380 0.87 POLB (0.49) POLBLMNAKMT2AL3MBTL1
SCHEMBL11274431 0.87 POLB (0.53) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL9472730 0.86 CYP2D6 (0.51) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL11265381 0.85 POLB (0.54) POLBLMNAKMT2AALDH1A1CYP2D6

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-5264431-A Inhibitors for proteinkinase C CIBA-GEIGY CORP. (US) 1993-11-23 — — US disclosed
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