SCHEMBL23008682

SCHEMBL23008682

CC[C@H](CC(C)(C)C)C(=O)NC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.40
CA2 P00918 6/20 0.38
CA1 P00915 5/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
KMT2A Q03164 1/20 0.34
BIRC2 Q13490 1/20 0.34
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 1/20 0.32
CA12 O43570 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 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
SCHEMBL13609165 0.84 TSHR (0.54) TSHRUSP2CA2CA1ALDH1A1
SCHEMBL13499634 0.84 HDAC8 (0.45) TSHRCA2CA1MAPK1MEN1
SCHEMBL13499630 0.82 CA2 (0.47) CA2CA1MAPK1MEN1FAAH
SCHEMBL26193053 0.82 MMP1 (0.30) TSHRCA2CA1CA12MMP1
SCHEMBL19507002 0.81 USP2 (0.32) TSHRUSP2CA2CA1ALDH1A1
SCHEMBL27285612 0.79 TSHR (0.40) TSHRUSP2CA2CA1ALDH1A1
SCHEMBL16748057 0.78 USP2 (0.43) TSHRUSP2CA2CA1ALDH1A1
SCHEMBL11095965 0.78 CA2 (0.66) TSHRUSP2CA2CA1ALDH1A1
SCHEMBL13499671 0.77 TSHR (0.39) TSHRUSP2ALDH1A1MAPK1MEN1
SCHEMBL16918112 0.77 USP2 (0.33) TSHRUSP2CA2CA1ALDH1A1

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
EP-3778249-A1 PRETREATMENT LIQUID, INK SET, IMAGE RECORDED MATERIAL, SUBSTRATE FOR IMAGE RECORDING, MANUFACTURING METHOD OF SUBSTRATE FOR IMAGE RECORDING, AND IMAGE RECORDING METHOD Fujifilm Corporation (JP) 2021-02-17 EP disclosed