SCHEMBL10961699

SCHEMBL10961699

C=CCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ TLR4 O00206 10/20 0.48
▸ LY96 Q9Y6Y9 6/20 0.46
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TGM2 P21980 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
SCHEMBL10961698 1.00 LMNA (0.48) LMNATLR4LY96POLBALDH1A1
SCHEMBL15333976 0.88 LMNA (0.61) LMNATLR4LY96POLBALDH1A1
SCHEMBL20788116 0.88 LMNA (0.61) LMNATLR4LY96POLBALDH1A1
SCHEMBL9519945 0.87 LMNA (0.51) LMNATLR4LY96POLBALDH1A1
SCHEMBL10719671 0.85 LMNA (0.53) LMNAPOLBALDH1A1KMT2ACYP3A4
SCHEMBL13650799 0.85 LMNA (0.59) LMNAPOLBALDH1A1KMT2ACYP3A4
SCHEMBL14468743 0.85 LMNA (0.59) LMNAPOLBALDH1A1KMT2ACYP3A4
SCHEMBL20788118 0.85 LMNA (0.59) LMNAPOLBALDH1A1KMT2ACYP3A4
SCHEMBL13646612 0.85 LMNA (0.59) LMNAPOLBALDH1A1KMT2ACYP3A4
SCHEMBL20516507 0.85 LMNA (0.59) LMNAPOLBALDH1A1KMT2ACYP3A4

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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