SCHEMBL15074793

SCHEMBL15074793

CC1OC(CO)C(I)C(OC2OC(CO)C(O)C(O)C2O)C1N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GJA1 P17302 1/20 0.49
▸ GJB2 P29033 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ AMY1A P0DUB6 1/20 0.42
▸ LGALS8 O00214 1/20 0.41
▸ LGALS3 P17931 1/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ AMY2A P04746 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15074819 0.89 MEN1 (0.43) MEN1KMT2AGJA1GJB2CYP2C9
SCHEMBL16153932 0.89 MEN1 (0.53) MEN1KMT2AGJA1GJB2CYP2C9
SCHEMBL12694348 0.89 MEN1 (0.53) MEN1KMT2AGJA1GJB2CYP2C9
SCHEMBL12694346 0.86 MEN1 (0.51) MEN1KMT2AGJA1GJB2CYP2C9
SCHEMBL12859458 0.85 MEN1 (0.52) MEN1KMT2AGJA1GJB2CYP2C9
SCHEMBL19337535 0.85 MEN1 (0.52) MEN1KMT2AGJA1GJB2CYP2C9
SCHEMBL12694426 0.81 MEN1 (0.45) MEN1KMT2AGJA1GJB2CYP2C9
SCHEMBL23845740 0.79 MEN1 (0.54) MEN1KMT2AGJA1GJB2CYP2C9
SCHEMBL12213059 0.79 MEN1 (0.54) MEN1KMT2AGJA1GJB2CYP2C9
SCHEMBL20880858 0.79 MEN1 (0.54) MEN1KMT2AGJA1GJB2CYP2C9

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-2012116225-A9 MUC1 BASED GLYCOLIPOPEPTIDE VACCINE WITH ADJUVANT ONCOTHYREON INC. (US) 2013-06-27 — — WO disclosed
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