SCHEMBL4385104

SCHEMBL4385104

CCOC(=O)C1C(=O)c2cc(SCCNC(=O)OC(C)(C)C)ccc2N(CC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
IDO1 P14902 4/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
RORC P51449 1/20 0.32
GAA P10253 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL6689539 0.76 IDO1 (0.36) BRD4IDO1ALDH1A1MEN1TSHR
SCHEMBL3816675 0.70 LMNA (0.55) ALDH1A1MEN1TSHRKMT2AGAA
SCHEMBL21528087 0.68 IDO1 (0.43) IDO1ALDH1A1MEN1KMT2AGAA
SCHEMBL4399700 0.68 ALDH1A1 (0.38) IDO1ALDH1A1MEN1KMT2AGAA
SCHEMBL19487331 0.67 HTT (0.54) IDO1ALDH1A1TSHRKMT2AGAA
SCHEMBL13306470 0.67 IDO1 (0.46) IDO1ALDH1A1MALT1
SCHEMBL3289243 0.67 LMNA (0.40) BRD4IDO1ALDH1A1MEN1KMT2A
SCHEMBL4385107 0.67 MALT1 (0.35) IDO1ALDH1A1MALT1
SCHEMBL7894530 0.67 MTNR1A (0.48) IDO1ALDH1A1MALT1
SCHEMBL13306469 0.66 PDPK1 (0.45) IDO1ALDH1A1MEN1KMT2AMALT1

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-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed