SCHEMBL4594638

SCHEMBL4594638

CCCCC(CC)COC(=O)C(C(=O)OCC(CC)CCCC)C(O)(O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
CYP3A4 P08684 4/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 3/20 0.54
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
MAPK1 P28482 3/20 0.51
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.47
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37

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
SCHEMBL27728355 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL27728441 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL12919024 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL19024959 0.77 ALDH1A1 (0.56) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL19024921 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28958351 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL19024892 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28298975 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL79515 0.76 ALDH1A1 (0.76) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30825765 0.76 ALDH1A1 (0.76) 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 claimed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO claimed