SCHEMBL9971692

SCHEMBL9971692

CCOCCOC(=O)CCc1cc(C)c(O)c(CC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
APP P05067 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP4Z1 Q86W10 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.33
KMT2A Q03164 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SHBG P04278 1/20 0.33
TSHR P16473 1/20 0.33
PDE3B Q13370 1/20 0.32

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
SCHEMBL9940405 0.94 ALOX5 (0.41) ALOX5CYP4F2CYP4A11APPNFKB1
SCHEMBL26229210 0.93 ALOX5 (0.43) ALOX5CYP4F2CYP4A11APPNFKB1
SCHEMBL10015716 0.89 ALOX5 (0.41) ALOX5CYP4F2CYP4A11APPNFKB1
SCHEMBL13898808 0.89 ALOX5 (0.42) ALOX5CYP4F2CYP4A11APPTDP1
SCHEMBL15541639 0.86 ESR1 (0.47) ALDH1A1KMT2ATHRATHRB
SCHEMBL13899105 0.86 CYP4F2 (0.46) ALOX5CYP4F2CYP4A11APPTDP1
SCHEMBL15249780 0.85 GAA (0.39) ALOX5APPNFKB1NFKB2RELA
SCHEMBL9971674 0.85 CYP4F2 (0.49) ALOX5CYP4F2CYP4A11APPNFKB1
SCHEMBL14979029 0.83 ALOX5 (0.44) ALOX5CYP4F2CYP4A11APPTDP1
SCHEMBL10015715 0.81 ALOX5 (0.44) ALOX5CYP4F2CYP4A11APPNFKB1

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
US-8470735-B2 Coating solution for heat-sensitive color-developing layer, and heat-sensitive recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-06-25 US disclosed
US-20120157303-A1 COATING SOLUTION FOR HEAT-SENSITIVE COLOR-DEVELOPING LAYER, AND HEAT-SENSITIVE RECORDING MATERIAL API CORPORATION (JP) 2012-06-21 US disclosed