SCHEMBL16229094

SCHEMBL16229094

C=CC(=O)NC(CCC)NC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
CYP2C19 P33261 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
TGM2 P21980 1/20 0.30

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
SCHEMBL1869231 0.87 TSHR (0.52) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL16229093 0.85 TSHR (0.57) TSHRZDHHC20ZDHHC2MAPK1MEN1
SCHEMBL325416 0.77 TSHR (0.56) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL4026662 0.76 ZDHHC20 (0.48) TSHRZDHHC20ZDHHC2MAPK1MEN1
SCHEMBL28051928 0.75 TAS1R3 (0.58) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL108348 0.74 TSHR (0.56) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL27612238 0.74 ZDHHC20 (0.52) TSHRZDHHC20ZDHHC2MAPK1MEN1
SCHEMBL29967456 0.74
Hexane SCHEMBL27662639 0.73 TSHR (0.75) TSHRZDHHC20ZDHHC2MAPK1MEN1
SCHEMBL399092 0.73 TSHR (0.50) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1

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-8883378-B2 Colored curable composition, color filter and method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-11-11 US disclosed