SCHEMBL7703864

SCHEMBL7703864

[c]1cccc(-c2ccc(Oc3ccccc3)cc2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.49
LTA4H P09960 8/20 0.41
TSHR P16473 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
MAOA P21397 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SCN4A P35499 1/20 0.37
PTGS2 P35354 1/20 0.36
TLR8 Q9NR97 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MCL1 Q07820 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL4621655 0.85 ALDH1A1 (0.39) NPC1RAB9APTGS2
SCHEMBL185890 0.85 ALDH1A1 (0.41) PTGS2
SCHEMBL8571095 0.85 ABL1 (0.50) LTA4HTSHRNPC1RAB9APTGS2
SCHEMBL6573031 0.81 FFAR4 (0.40) FFAR4
SCHEMBL7700568 0.81 GSTP1 (0.50) GSTP1LTA4HTSHRNCOA1NCOA3
SCHEMBL7700098 0.81 GSTP1 (0.50) GSTP1LTA4HTSHRNCOA1NCOA3
SCHEMBL9559546 0.80 NPC1 (0.47) GSTP1LTA4HNPC1RAB9AFFAR4
SCHEMBL7700044 0.79 GSTP1 (0.49) GSTP1LTA4HTSHRNCOA1NCOA3
SCHEMBL28716480 0.79 CYP1A2 (0.50) TSHRNPC1RAB9APTGS2
SCHEMBL9559722 0.79 PTGS2 (0.40) PTGS2

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-1216285-A1 FLUORESCENT MALEIMIDES AND USES THEREOF Ciba SC Holding AG (CH) 2002-06-26 EP disclosed
WO-2001019939-A1 FLUORESCENT MALEIMIDES AND USES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 WO disclosed