SCHEMBL5569722

SCHEMBL5569722

CC(C)(O)C(=O)c1ccc(CC(OC(=O)CCCCCCCCCCCCC(=O)O)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
MGLL Q99685 1/20 0.34
NR1H4 Q96RI1 3/20 0.34
GCGR P47871 5/20 0.33
ADCY6 O43306 3/20 0.33
ADCY3 O60266 3/20 0.33
ADCY9 O60503 3/20 0.33
ADCY5 O95622 3/20 0.33
ADCY8 P40145 3/20 0.33
ADCY7 P51828 3/20 0.33
ADCY2 Q08462 3/20 0.33
ADCY1 Q08828 3/20 0.33
ADCY4 Q8NFM4 3/20 0.33
MAPK1 P28482 1/20 0.33
USP5 P45974 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL3668173 0.99 HSD17B10 (0.37) HSD17B10MGLLNR1H4GCGRADCY6
SCHEMBL3677451 0.91 USP5 (0.38) NR1H4GCGRADCY6ADCY3ADCY9
SCHEMBL3671962 0.85 PTGS1 (0.34) NR1H4GCGRADCY6ADCY3ADCY9
SCHEMBL10606212 0.78 MAPT (0.51) MGLLMAPK1ACEMAPTRXFP1
SCHEMBL1021016 0.78 MAPT (0.51) MGLLMAPK1ACEMAPTRXFP1
SCHEMBL3670931 0.78 ALDH1A1 (0.41) NR1H4EPHX2MAPT
SCHEMBL3673110 0.77 FFAR1 (0.34) GCGR
SCHEMBL7711934 0.76 LTA4H (0.49) MGLLMAPK1ACEMAPTRXFP1
SCHEMBL4425357 0.75 LMNA (0.45) MAPK1MAPT
SCHEMBL3674302 0.74 ALDH1A1 (0.40) HSD17B10

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
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed