SCHEMBL4593734

SCHEMBL4593734

CCCCC(CC)COC(=O)C(Cc1ccccc1)(OC)C(=O)OCC(CC)CCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
CYP3A4 P08684 4/20 0.55
CA2 P00918 1/20 0.55
LMNA P02545 3/20 0.51
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
MAPK1 P28482 4/20 0.48
TSHR P16473 4/20 0.46
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CTSK P43235 5/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
RECQL P46063 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL19024822 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4594508 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL19024959 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL7431853 0.77 ALDH1A1 (0.57) ALDH1A1LMNATSHRHSD17B10RECQL
SCHEMBL19024941 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL19024870 0.77 PRSS1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL19024961 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL27728355 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL19024630 0.75 PRSS1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL19024839 0.75 PRSS1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed