SCHEMBL8978013

SCHEMBL8978013

CCC(C)C(=O)OCCCCCCCCCCCOc1ccc(C=Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.39
▸ MMP3 P08254 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ SPHK2 Q9NRA0 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL17131748 0.86 PPARA (0.49) ALDH1A1MAPTHDAC1HDAC2HRH3
SCHEMBL12347967 0.85 MAPT (0.52) ALDH1A1MAPTHDAC1HDAC2HRH3
SCHEMBL25501218 0.84 MAPT (0.41) ALDH1A1MAPTPPARDPPARASPHK2
SCHEMBL11425348 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHRH3KDM4EL3MBTL1
SCHEMBL269185 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHRH3KDM4EL3MBTL1
SCHEMBL4541633 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHRH3KDM4EL3MBTL1
SCHEMBL12416623 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHRH3KDM4EL3MBTL1
SCHEMBL11769988 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHRH3KDM4EL3MBTL1
SCHEMBL12416641 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHRH3KDM4EL3MBTL1
SCHEMBL3082828 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHRH3KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8496616-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2013-07-30 — — US disclosed
US-20120220932-A1 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2012-08-30 — — US disclosed
US-8187492-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2012-05-29 — — US disclosed
US-20110092999-A1 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2011-04-21 — — US disclosed
US-7914485-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2011-03-29 — — US disclosed
US-7857785-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-12-28 — — US disclosed
US-20100145269-A1 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-06-10 — — US disclosed
US-7662129-B2 Block copolymer containing A block is a liquid crystal polymer block formed from repeating units comprising mesogenic groups and has a polymer backbone comprising no aliphatic unsaturation; and the B block is a non-liquid crystal polymer block; catheters BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-02-16 — — US disclosed
US-20100016941-A1 MEDICAL DEVICE EMPLOYING LIQUID CRYSTAL BLOCK COPOLYMERS AND METHOD OF MAKING THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-01-21 — — US disclosed
US-7582078-B2 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2009-09-01 — — US disclosed
US-20070191813-A1 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. 2007-08-16 — — US disclosed
US-20070191814-A1 Medical device employing liquid crystal block copolymers and method of making the same BOSTON SCIENTIFIC SCIMED, INC. (US) 2007-08-16 — — US disclosed
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