SCHEMBL3785372

SCHEMBL3785372

N#CCC(=O)OCCOCCOCCOC(=O)CC#N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SERPINE1 P05121 1/20 0.31
DGKA P23743 1/20 0.31

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
SCHEMBL13557224 1.00 MCL1 (0.39) MCL1ALDH1A1TSHRTP53HIF1A
SCHEMBL6890414 0.93 MCL1 (0.43) MCL1DGKA
SCHEMBL27434388 0.91 MCL1 (0.36) MCL1ALDH1A1TSHRTP53HIF1A
SCHEMBL2013766 0.90 TSHR (0.35) MCL1ALDH1A1TSHRTP53HIF1A
SCHEMBL11287855 0.90 TSHR (0.35) MCL1ALDH1A1TSHRTP53HIF1A
SCHEMBL3783247 0.90 ALDH1A1 (0.50) MCL1ALDH1A1TSHRTP53HIF1A
SCHEMBL10901082 0.90 DGKA (0.38) MCL1ALDH1A1TSHRTP53HIF1A
SCHEMBL28716408 0.90 ALDH1A1 (0.50) MCL1ALDH1A1TSHRTP53HIF1A
SCHEMBL2856228 0.87 ALDH1A1 (0.52) MCL1ALDH1A1TSHRHSD17B10DGKA
SCHEMBL11273918 0.87 DGKA (0.44) MCL1ALDH1A1TSHRDGKA

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
WO-2010056452-A2 DIMERIC CYANOACRYLATE COMPOUNDS AS RED-SHIFTED UV ABSORBERS CYTEC TECHNOLOGY CORP. (US) 2010-05-20 WO disclosed
US-20090297955-A1 OPTICAL RECORDING COMPOSITION, HOLOGRAPHIC RECORDING MEDIUM, AND METHOD OF RECORDING AND REPRODUCING INFORMATION FUJIFILM CORPORATION (JP) 2009-12-03 US disclosed