SCHEMBL17689314

SCHEMBL17689314

CCC(=O)OCC1O[C@@H](OC(=O)CC)[C@H](NC(C)=O)C(OC(=O)CC)[C@@H]1OC(=O)CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TLR4 O00206 7/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ THRB P10828 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TGM2 P21980 1/20 0.37
▸ LY96 Q9Y6Y9 2/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36

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
SCHEMBL13302128 1.00 LMNA (0.57) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL3337615 1.00 LMNA (0.57) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL23651844 0.89 LMNA (0.48) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL17772563 0.89 LMNA (0.48) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL24105787 0.89 LMNA (0.48) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL23651830 0.89 LMNA (0.48) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL16883909 0.88 LMNA (0.54) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL3336078 0.88 LMNA (0.54) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL3336077 0.88 LMNA (0.54) LMNAKMT2AALDH1A1POLBCYP3A4
SCHEMBL2335003 0.86 LMNA (0.44) LMNAKMT2AALDH1A1POLBCYP3A4

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-9315532-B2 Fatty acid carbohydrate hybrid molecules as therapeutic agents and methods thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-19 — — US disclosed
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