SCHEMBL16384996

SCHEMBL16384996

Cc1ccccc1OCc1c(Br)cccc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ SGMS2 Q8NHU3 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ APEX1 P27695 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL16385607 0.88 RXRA (0.49) ALDH1A1RXRARXRBRXRGSGMS2
SCHEMBL17788245 0.86 MRGPRX4 (0.49) TDP1L3MBTL1FFAR4MEN1KMT2A
SCHEMBL17788247 0.85 MAPT (0.41) ALDH1A1SGMS2SLC22A12NPSR1APEX1
SCHEMBL17788256 0.83 SLC22A12 (0.39) ALDH1A1SLC22A12NPSR1FFAR4POLB
SCHEMBL17788250 0.81 MRGPRX4 (0.44) ALDH1A1SLC22A12NPSR1FFAR4
SCHEMBL16385008 0.81 ALDH1A1 (0.51) ALDH1A1RXRARXRBRXRGTDP1
SCHEMBL16385462 0.80 ALDH1A1 (0.40) ALDH1A1RXRARXRBRXRGSGMS2
SCHEMBL7965281 0.79 TP53 (0.54) ALDH1A1RXRARXRBRXRGSGMS2
SCHEMBL17788261 0.76 MRGPRX4 (0.41) RXRARXRBRXRG
SCHEMBL17788238 0.76 MRGPRX4 (0.52) SGMS2SLC22A12TDP1L3MBTL1FFAR4

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
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