SCHEMBL15810558

SCHEMBL15810558

CCCCCN1C(=O)c2ccc3c4ccc5c6c(cc(OCCC)c(c7c(OCCC)cc(c2c37)C1=O)c64)C(=O)C(CCCC)C5=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TERT O14746 7/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ RGS12 O14924 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL17190564 0.90 STAT3 (0.47) STAT3HIF1ATERTMEN1KMT2A
SCHEMBL17190545 0.85 STAT3 (0.47) STAT3HIF1ATERTMEN1KMT2A
SCHEMBL21923810 0.79 TERT (0.40) STAT3HIF1ATERTMEN1KMT2A
SCHEMBL17190565 0.79 STAT3 (0.49) STAT3HIF1ATERTMEN1KMT2A
SCHEMBL17190544 0.78 STAT3 (0.46) STAT3HIF1ATERTMEN1KMT2A
SCHEMBL17190577 0.76 STAT3 (0.40) STAT3HIF1ATERTMEN1KMT2A
SCHEMBL17190557 0.75 STAT3 (0.41) STAT3HIF1ATERTMEN1KMT2A
SCHEMBL17190558 0.73 STAT3 (0.43) STAT3HIF1ATERTMEN1KMT2A
SCHEMBL2671337 0.73 STAT3 (0.67) STAT3HIF1ATERTMEN1KMT2A
SCHEMBL29384023 0.73 STAT3 (0.67) STAT3HIF1ATERTMEN1KMT2A

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-2014090373-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-06-19 — — WO disclosed
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