SCHEMBL19873678

SCHEMBL19873678

CC(C)(C)c1cc(C(=O)O)c(C(C)(C)C)c(C(=O)O)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.36
NR1H4 Q96RI1 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
FABP4 P15090 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL14989280 0.79 GLRA3 (0.47) GLRA3GLRBNR1H4FABP4TDP1
SCHEMBL14989212 0.77 GLRA3 (0.50) GLRA3GLRBNR1H4CA1CA2
SCHEMBL14989300 0.77 GLRA3 (0.50) GLRA3GLRBNR1H4CA1CA2
SCHEMBL29094363 0.76 GLRA3 (0.44) GLRA3GLRBPTGDR2NR1H4CA1
SCHEMBL557154 0.74 GLRA3 (0.41) GLRA3GLRBNR1H4CA1CA2
SCHEMBL27716443 0.73 GLRA3 (0.55) GLRA3GLRBCA1CA2TDP1
SCHEMBL29139207 0.73 GLRA3 (0.50) GLRA3GLRBNR1H4CA1CA2
SCHEMBL4940867 0.73 GLRA3 (0.46) GLRA3GLRBPTGDR2NR1H4TDP1
SCHEMBL4939017 0.73 GLRA3 (0.46) GLRA3GLRBNR1H4CA12CA1
SCHEMBL14989213 0.72 GLRA3 (0.44) GLRA3GLRBNR1H4FABP4TDP1

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
US-20180052105-A1 SULFANE SULFUR-SELECTIVE FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2018-02-22 US disclosed