SCHEMBL16385271

SCHEMBL16385271

CCc1cccc(C(=O)O)c1COc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
APEX1 P27695 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.49
MRGPRX4 Q96LA9 5/20 0.47
PTGER1 P34995 1/20 0.47
KDM4C Q9H3R0 1/20 0.46
FOLH1 Q04609 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
SLC22A12 Q96S37 1/20 0.45
CLCN2 P51788 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL18831634 0.85 MRGPRX4 (0.53) APEX1MRGPRX4FOLH1CLCN2
SCHEMBL16920918 0.85 MRGPRX4 (0.56) TP53MRGPRX4
SCHEMBL16920923 0.85 MRGPRX4 (0.49) APEX1ALDH1A1HTTTP53MRGPRX4
SCHEMBL5291219 0.84 HTT (0.68) RXRARXRBRXRGAPEX1ALDH1A1
SCHEMBL16223754 0.83 SLC22A12 (0.50) RXRARXRBRXRGAPEX1ALDH1A1
SCHEMBL17788229 0.82 MRGPRX4 (0.55) APEX1HTTTP53MRGPRX4PTGDR2
SCHEMBL16385319 0.82 MRGPRX4 (0.55) RXRARXRBRXRGAPEX1ALDH1A1
SCHEMBL18831439 0.82 MRGPRX4 (0.47) APEX1ALDH1A1HTTTP53MRGPRX4
SCHEMBL17788226 0.81 MRGPRX4 (0.51) RXRARXRBRXRGAPEX1ALDH1A1
SCHEMBL23506122 0.79 MRGPRX4 (0.47) RXRARXRBRXRGALDH1A1MRGPRX4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015005499-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2015-01-15 WO disclosed