SCHEMBL4603935

SCHEMBL4603935

CCOC(=O)C(C(=O)OCC)C(OC)(OC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MMP8 P22894 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
CES1 P23141 1/20 0.41
KCNN4 O15554 1/20 0.41

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
SCHEMBL11500407 0.86 SMN1; SMN2 (0.40) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL12264169 0.81 MEN1 (0.53) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL490866 0.80 CES1 (0.47) KMT2AMAPTPOLBTSHRCES1
SCHEMBL7207416 0.79 PIN1 (0.49) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7212419 0.77 PIN1 (0.46) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28210809 0.77 MEN1 (0.49) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7212428 0.77 PIN1 (0.46) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28101975 0.75 EDNRB (0.46) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL15991494 0.75 EDNRB (0.46) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7207418 0.74 PIN1 (0.44) PIN1MEN1KMT2ANPC1SMN1; SMN2

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