SCHEMBL7204880

SCHEMBL7204880

COc1cc([C]CCC(C)C)c(CCC(C)C)c(OC)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMPD1 P17405 1/20 0.39
PDE4D Q08499 2/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
MGAM O43451 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
CCR3 P51677 1/20 0.33
SLC10A2 Q12908 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
AR P10275 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL9102101 0.78 SMPD1 (0.40) SMPD1PDE4DKMT2ACYP3A4
SCHEMBL9101386 0.75 ALOX5 (0.59) ALOX5
SCHEMBL4738884 0.71 ALOX5 (0.40) ALOX5GAAKDM4EPKMMGAM
SCHEMBL9967702 0.68 ALOX5 (0.60) ALOX5NFKB1NFKB2RELAGAA
SCHEMBL5749454 0.68 ALOX5 (0.42) ALOX5NFKB1NFKB2RELASMPD1
SCHEMBL2211615 0.67 ALOX5 (0.41) ALOX5NFKB1NFKB2RELASMPD1
SCHEMBL16116143 0.67 ALOX5 (0.35) ALOX5
SCHEMBL6427404 0.66 ALOX5 (0.41) ALOX5NFKB1NFKB2RELASMPD1
SCHEMBL9101999 0.65 ALOX5 (0.39) ALOX5
SCHEMBL2214744 0.65 ALOX5 (0.39) ALOX5NFKB1NFKB2RELASMPD1

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-1635777-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GMBH (DE) 2012-06-06 EP claimed
US-6602515-B2 Alpha-acetyl-3,5-dimethoxy-4-hydroxy cinnamate ester; dipalmitoyl-3,5- dimethoxy-4-hydroxy benzylidene malonate or amide derivatives EM INDUSTRIES 2003-08-05 US disclosed