SCHEMBL11655811

SCHEMBL11655811

CCOC(=O)c1ncn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 2/20 0.56
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ HRAS P01112 1/20 0.46
▸ P2RX3 P56373 1/20 0.46
▸ P2RX4 Q99571 1/20 0.46
▸ P2RX2 Q9UBL9 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ P2RY11 Q96G91 1/20 0.39
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL7215159 1.00 GAPDH (0.56) GAPDHMEN1USP2POLBKMT2A
SCHEMBL5991719 0.90 MEN1 (0.55) GAPDHMEN1USP2POLBKMT2A
SCHEMBL5991726 0.88 MEN1 (0.55) GAPDHMEN1USP2POLBKMT2A
SCHEMBL7143681 0.87 MEN1 (0.56) GAPDHMEN1USP2POLBKMT2A
SCHEMBL10260643 0.83 MEN1 (0.58) GAPDHMEN1USP2POLBKMT2A
SCHEMBL15702572 0.83 MEN1 (0.58) GAPDHMEN1USP2POLBKMT2A
SCHEMBL8394491 0.83 GAPDH (0.47) GAPDHMEN1USP2POLBKMT2A
SCHEMBL8394489 0.83 GAPDH (0.47) GAPDHMEN1USP2POLBKMT2A
SCHEMBL13787611 0.81 GAPDH (0.56) GAPDHMEN1USP2POLBKMT2A
SCHEMBL14428974 0.80 MEN1 (0.52) GAPDHMEN1USP2POLBKMT2A

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-4115641-A CARDIAC AND CIRCULATORY-DYNAMIC PROPERTIES, ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 1978-09-19 — — US disclosed
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