SCHEMBL2819915

SCHEMBL2819915

CC(C)N(C(=O)OC(C)(C)C)c1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
MTNR1B P49286 1/20 0.39
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
USP30 Q70CQ3 1/20 0.35
IKBKB O14920 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL6627245 0.83 MTNR1B (0.41) SLC7A5MTNR1BS1PR1SMN1; SMN2PDK1
SCHEMBL18055477 0.82 BRD4 (0.49) SLC7A5MTNR1BPDK1PDK2PDK3
SCHEMBL2822819 0.81 MTNR1B (0.40) SLC7A5MTNR1BS1PR1SMN1; SMN2PDK1
SCHEMBL3063250 0.81 ADRB2 (0.37) SLC7A5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL4497170 0.80 MTNR1B (0.39) MTNR1BS1PR1ALDH1A1PDK1PDK2
SCHEMBL2798823 0.77 MTNR1B (0.40) MTNR1BS1PR1TP53PDK1PDK2
SCHEMBL4335630 0.77 SLC7A5 (0.39) SLC7A5ALDH1A1SMN1; SMN2L3MBTL1ITGB1
SCHEMBL4335628 0.77 SLC7A5 (0.39) SLC7A5ALDH1A1SMN1; SMN2L3MBTL1ITGB1
SCHEMBL16141841 0.75 L3MBTL1 (0.38) MTNR1BPDK1PDK2PDK3PDK4
SCHEMBL8286492 0.75 ALDH1A1 (0.41) MTNR1BS1PR1ALDH1A1LMNATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed