SCHEMBL6825006

SCHEMBL6825006

[CH2]C(CCC(=O)OC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SLC1A1 P43005 1/20 0.39
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL9453364 0.89 TSHR (0.48) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL9191996 0.86 TSHR (0.50) TSHRKMT2AGAAMGAMSI
SCHEMBL28568682 0.86 TSHR (0.50) TSHRKMT2AGAAMGAMSI
SCHEMBL6988170 0.85 L3MBTL1 (0.50) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL11534434 0.80 L3MBTL1 (0.49) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL5015129 0.78 L3MBTL1 (0.47) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL3019317 0.78 L3MBTL1 (0.47) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL4366941 0.78 L3MBTL1 (0.44) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL1387656 0.77 ALDH1A1 (0.42) L3MBTL1TSHRKMT2APOLBGAA
SCHEMBL16590573 0.77 SLC1A1 (0.50) L3MBTL1TSHRKMT2APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814022-A Fused bicyclic heteroaromatic derivatives as modulators of tnf activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
EP-1386318-A1 AN OPTICAL DATA STORAGE MEDIUM CONTAINING A DIAZA HEMICYANINE DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER Bayer Chemicals AG (DE) 2004-02-04 EP disclosed
WO-2002089128-A1 AN OPTICAL DATA STORAGE MEDIUM CONTAINING A DIAZA HEMICYANINE DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-11-07 WO disclosed
EP-0515420-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1992-12-02 EP disclosed
WO-1991012230-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1991-08-22 WO disclosed