SCHEMBL13656127

SCHEMBL13656127

CCC(C)(C)C(=O)NC(C)(C)CS(=O)(=O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.46
HPGD P15428 4/20 0.44
LMNA P02545 2/20 0.44
NR3C2 P08235 1/20 0.44
KEAP1 Q14145 1/20 0.38
AR P10275 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
GHSR Q92847 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
SCHEMBL15198880 0.80 HPGD (0.43) HPGDLMNANR3C2KEAP1L3MBTL1
SCHEMBL19808211 0.73 NR3C2 (0.54) HPGDLMNANR3C2KEAP1AR
SCHEMBL13656128 0.73 RIPK1 (0.32) RIPK1
SCHEMBL13656121 0.73 RIPK1 (0.32) RIPK1
SCHEMBL802219 0.72 RIPK1 (0.35) RIPK1LMNAL3MBTL1POLB
SCHEMBL750651 0.72 RIPK1 (0.59) RIPK1HPGDLMNAHSD17B10NPC1
SCHEMBL28131849 0.72 RIPK1 (0.51) RIPK1HPGDLMNANPC1RAB9A
Acetic Acid SCHEMBL27557152 0.70 HPGD (0.69) HPGDLMNANR3C2KEAP1AR
SCHEMBL1972989 0.69 HPGD (0.67) HPGDLMNANR3C2KEAP1AR
SCHEMBL6362808 0.68 MEN1 (0.35) RIPK1LMNAL3MBTL1POLB

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-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed