SCHEMBL8409347

SCHEMBL8409347

C=C(C)CCOC(=O)C(=C)C(=O)OCCC(=C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
THRB P10828 1/20 0.42
TSHR P16473 4/20 0.41
BTN3A1 O00481 1/20 0.39
ALDH1A1 P00352 5/20 0.33
POLB P06746 2/20 0.33
APEX1 P27695 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
BLM P54132 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTT P42858 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
SCHEMBL3009732 0.86 EPHX1 (0.44) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL587661 0.86 THRB (0.57) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL10603946 0.80 EPHX1 (0.41) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL10603950 0.80 EPHX1 (0.41) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL1269971 0.80
SCHEMBL29001937 0.78 ALDH1A1 (0.46) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL9540458 0.78
SCHEMBL9540463 0.78
SCHEMBL15282390 0.77 EPHX1 (0.42) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL15281959 0.77 EPHX1 (0.42) EPHX1THRBTSHRBTN3A1ALDH1A1

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-0663206-B1 Naphthalenmethylenemalonic diesters, and UV absorbers and cosmetic compositions containing the diesters KAO CORP (JP) 1999-07-14 EP disclosed
EP-0663206-A1 Naphthalenmethylenemalonic diesters, and UV absorbers and cosmetic compositions containing the diesters Kao Corporation (JP) 1995-07-19 EP disclosed