SCHEMBL4549636

SCHEMBL4549636

Cc1ccc(-c2ccc(COO)cc2S(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FFAR4 Q5NUL3 5/20 0.37
POLB P06746 2/20 0.36
RECQL P46063 2/20 0.36
ESR2 Q92731 1/20 0.36
FFAR1 O14842 5/20 0.36
BACE1 P56817 1/20 0.35
SLC9A1 P19634 1/20 0.34
PTGS2 P35354 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PTGS1 P23219 1/20 0.33
SNCA P37840 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4549634 0.83 FOLH1 (0.45) CA1CA2CA9NPC1RAB9A
SCHEMBL2622526 0.82 BACE1 (0.43) CA1CA2CA9FFAR4FFAR1
SCHEMBL2622531 0.80 PTGS2 (0.42) CA1CA2CA9POLBRECQL
SCHEMBL16590818 0.78 PTGS2 (0.41) POLBRECQLSLC9A1PTGS2ALDH1A1
SCHEMBL13557157 0.76 SRD5A2 (0.46) ALDH1A1
SCHEMBL13557160 0.76 SRD5A2 (0.45) CA1CA2CA9
SCHEMBL13557159 0.75 HTT (0.47) POLBRECQLESR2ALDH1A1MAOA
SCHEMBL19308001 0.74 ALDH1A1 (0.57) POLBRECQLSLC9A1PTGS2NPC1
SCHEMBL2622527 0.74 MAOB (0.43) FFAR4FFAR1ALDH1A1MAOAMAOB
SCHEMBL13557158 0.74 HTT (0.46) POLBRECQLESR2ALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895118-B2 Negative dispersion retardation plate and achromatic circular polarizer CRYSOPTIX K.K. (JP) 2014-11-25 US disclosed
US-20140334002-A1 PATTERNED RETARDER CRYSOPTIX KK (JP) 2014-11-13 US disclosed
US-20120113380-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-10 US disclosed