SCHEMBL4955549

SCHEMBL4955549

CCCCCCCCC/C=C/c1ccc(-c2cccs2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
PPARG P37231 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL15688422 0.81 MAPT (0.49) ALDH1A1GAAMAPTHTTKMT2A
SCHEMBL10605933 0.81 MAPT (0.49) ALDH1A1GAAMAPTHTTKMT2A
SCHEMBL2007438 0.81 MAPT (0.49) ALDH1A1GAAMAPTHTTKMT2A
SCHEMBL2007435 0.81 MAPT (0.49) ALDH1A1GAAMAPTHTTKMT2A
SCHEMBL16135282 0.81 MAPT (0.49) ALDH1A1GAAMAPTHTTKMT2A
SCHEMBL23345517 0.81 MAPT (0.49) ALDH1A1GAAMAPTHTTKMT2A
SCHEMBL16135275 0.81 MAPT (0.49) ALDH1A1GAAMAPTHTTKMT2A
SCHEMBL6434876 0.79 MAPT (0.50) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL6434868 0.79 MAPT (0.50) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL16135276 0.77 MAPT (0.46) KDM4EALDH1A1ALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402651-B2 Macromolecular compounds with a core-shell structure H.C. STARCK GMBH & CO. KG (DE) 2008-07-22 US disclosed
US-20050215760-A1 Macromolecular compounds with a core-shell structure H. C. STARCK GMBH (DE) 2005-09-29 US disclosed
EP-1580217-A1 Macromolecular compounds with core-shell structure H.C. Starck GmbH (DE) 2005-09-28 EP disclosed