SCHEMBL17955876

SCHEMBL17955876

CC(=O)OC1OC(CN=O)C(OC2OC3COC(c4ccccc4)OC3C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.37
▸ PRKCA P17252 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ CA12 O43570 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ P4HB P07237 1/20 0.32
▸ PDIA4 P13667 1/20 0.32
▸ PDIA3 P30101 1/20 0.32

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
SCHEMBL16189505 0.90 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1TSHRPRKCA
SCHEMBL15083009 0.88 TSHR (0.52) L3MBTL1KMT2AMEN1TSHRPRKCA
SCHEMBL7563649 0.86 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1TSHRLMNA
SCHEMBL25503290 0.86 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1TSHRLMNA
SCHEMBL25503494 0.86 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1TSHRLMNA
SCHEMBL25503299 0.86 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1TSHRLMNA
SCHEMBL23591488 0.83 TSHR (0.56) L3MBTL1KMT2AMEN1TSHRPRKCA
SCHEMBL22073061 0.81 L3MBTL1 (0.66) L3MBTL1KMT2AMEN1TSHRLMNA
SCHEMBL7147270 0.80 L3MBTL1 (0.67) L3MBTL1KMT2AMEN1TSHRLMNA
SCHEMBL7155230 0.80 L3MBTL1 (0.67) L3MBTL1KMT2AMEN1TSHRLMNA

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-9402925-B2 Probes and methods of imaging a bacterial infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2016-08-02 — — US disclosed
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