SCHEMBL11080688

SCHEMBL11080688

CCCCCN[C@H]1[C@H](OCc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ LMNA P02545 3/20 0.57
▸ KMT2A Q03164 1/20 0.55
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ SELP P16109 2/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL11080692 1.00 POLB (0.58) POLBLMNAKMT2ATSHRALDH1A1
SCHEMBL11014956 0.99 POLB (0.57) POLBLMNAKMT2ATSHRALDH1A1
SCHEMBL11014953 0.99 POLB (0.57) POLBLMNAKMT2ATSHRALDH1A1
SCHEMBL10956041 0.88 LMNA (0.65) POLBLMNAKMT2ATSHRALDH1A1
SCHEMBL10956036 0.88 LMNA (0.65) POLBLMNAKMT2ATSHRALDH1A1
SCHEMBL8931470 0.84 POLB (0.79) POLBLMNAKMT2ATSHRALDH1A1
SCHEMBL21097453 0.84 POLB (0.79) POLBLMNAKMT2ATSHRALDH1A1
SCHEMBL8931476 0.84 POLB (0.79) POLBLMNAKMT2ATSHRALDH1A1
SCHEMBL21058372 0.83 LMNA (0.65) POLBLMNAKMT2ATSHRALDH1A1
SCHEMBL6859193 0.82 LMNA (0.62) POLBLMNAKMT2ATSHRALDH1A1

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-4495346-A CATALYTICALLY COUPLING TWO MONOSACCHARIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1985-01-22 — — US disclosed
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