SCHEMBL14725890

SCHEMBL14725890

C=CCCCCCOC(=O)c1ccc(C(=O)OCCCCOC=C)cc1C(=O)OCCCCOC=C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 4/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
ESR1 P03372 2/20 0.35

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
SCHEMBL29378202 0.92 TSHR (0.45) HDAC6ALDH1A1TSHRMAPK1LMNA
SCHEMBL218327 0.92 TSHR (0.45) HDAC6ALDH1A1TSHRMAPK1LMNA
SCHEMBL20323198 0.87 HDAC6 (0.46) HDAC6ALDH1A1TSHRMAPK1LMNA
SCHEMBL16281992 0.84 TSHR (0.44) HDAC6ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL9767684 0.83 ALDH1A1 (0.50) HDAC6ALDH1A1TSHRMAPK1LMNA
SCHEMBL3651606 0.82 HTT (0.43) HDAC6ALDH1A1TSHRMAPK1LMNA
SCHEMBL27994148 0.82 HTT (0.43) HDAC6ALDH1A1TSHRMAPK1LMNA
SCHEMBL9958252 0.82 TSHR (0.49) ALDH1A1TSHRMAPK1LMNAL3MBTL1
SCHEMBL15865271 0.81 TDP1 (0.56) HDAC6ALDH1A1TSHRMAPK1LMNA
SCHEMBL2706082 0.81 ALDH1A1 (0.47) HDAC6ALDH1A1TSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732257-B2 Curable acrylate or methacrylate compositions Henkel IP & Holding GmbH (DE) 2017-08-15 US disclosed
US-9212244-B2 Polymers made from mixtures comprising vinyl ether monomers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-12-15 US disclosed
US-8580888-B2 Two-part, cyanoacrylate/cationically curable adhesive systems HENKEL IRELAND LIMITED (DE) 2013-11-12 US disclosed
US-20130053497-A1 TWO-PART, CYANOACRYLATE/CATIONICALLY CURABLE ADHESIVE SYSTEMS HENKEL IRELAND LTD. (IE) 2013-02-28 US disclosed