SCHEMBL13786402

SCHEMBL13786402

CC(=O)NC1C(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(COC(=O)c2ccccc2)O[C@@H]1OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PTPN1 P18031 4/20 0.43
▸ UPP1 Q16831 1/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PTPN2 P17706 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ TSHR P16473 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
SCHEMBL13250764 0.88 LMNA (0.57) LMNAKMT2APOLBALDH1A1USP2
SCHEMBL17850294 0.88 LMNA (0.57) LMNAKMT2APOLBALDH1A1USP2
SCHEMBL17850343 0.88 LMNA (0.57) LMNAKMT2APOLBALDH1A1USP2
SCHEMBL15592369 0.88 LMNA (0.57) LMNAKMT2APOLBALDH1A1USP2
SCHEMBL13447781 0.88 LMNA (0.57) LMNAKMT2APOLBALDH1A1USP2
SCHEMBL8651191 0.85 PTPN1 (0.53) KMT2APOLBALDH1A1USP2MEN1
SCHEMBL10632505 0.85 PTPN1 (0.53) KMT2APOLBALDH1A1USP2MEN1
SCHEMBL26694333 0.85 PTPN1 (0.53) KMT2APOLBALDH1A1USP2MEN1
SCHEMBL10632499 0.85 PTPN1 (0.53) KMT2APOLBALDH1A1USP2MEN1
SCHEMBL13412970 0.85 LMNA (0.54) LMNAKMT2APOLBALDH1A1USP2

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
WO-2009089396-A2 GLYCOCONJUGATION OF POLYPEPTIDES USING OLIGOSACCHARYLTRANSFERASES NEOSE TECHNOLOGIES, INC. (US) 2009-07-16 — — WO disclosed
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