SCHEMBL9472933

SCHEMBL9472933

CCCCCCCCCCCCCCCCCCOC[C@H]1O[C@@H](OCc2ccccc2)[C@H](NC(C)=O)[C@@H](OC(C)C(=O)OCc2ccccc2)[C@@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ LMNA P02545 3/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TACR1 P25103 3/20 0.42
▸ SELP P16109 2/20 0.42
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MMP12 P39900 2/20 0.37
▸ MMP9 P14780 1/20 0.37

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
SCHEMBL9472639 0.90 POLB (0.53) POLBLMNAKMT2ASELPCYP3A4
SCHEMBL9473749 0.88 POLB (0.65) POLBLMNAKMT2ACYP3A4MAPT
SCHEMBL9472943 0.85 POLB (0.53) POLBLMNAKMT2ASELPCYP3A4
SCHEMBL8332380 0.84 POLB (0.49) POLBLMNAKMT2AL3MBTL1
SCHEMBL9472221 0.82 POLB (0.66) POLBLMNAKMT2ACYP3A4MAPT
SCHEMBL11274431 0.81 POLB (0.53) POLBLMNAKMT2ACYP3A4MAPT
SCHEMBL8332378 0.80 POLB (0.46) POLBLMNAKMT2ATACR1SSTR1
SCHEMBL11265381 0.79 POLB (0.54) POLBLMNAKMT2ASELPCYP3A4
SCHEMBL8331347 0.79 POLB (0.49) POLBLMNAKMT2AL3MBTL1
SCHEMBL23243950 0.79 LMNA (0.66) POLBLMNAKMT2ATACR1SSTR1

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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