SCHEMBL19176293

SCHEMBL19176293

CCCC(C(=O)OC(C)(C)C)C(C)(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
CTSS P25774 2/20 0.36
CA1 P00915 3/20 0.32
CA2 P00918 2/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL14748198 0.84 CA1 (0.38) CTSKCTSSCA1CA2NOS1
SCHEMBL13575237 0.84 CA1 (0.38) CTSKCTSSCA1CA2NOS1
SCHEMBL12326431 0.81 CTSK (0.36) CTSKCTSSCA1CA2NOS1
SCHEMBL6117658 0.81 AAK1 (0.36) CTSKCTSSCA1CA2NOS1
SCHEMBL5154944 0.79 CTSK (0.35) CTSKCTSSCA1CA2NOS1
SCHEMBL3325978 0.75 CTSK (0.39) CTSKCTSSCA1CA2NOS1
SCHEMBL10291076 0.75 HDAC1 (0.46) CTSKCTSSCA1CA2NOS1
SCHEMBL12236056 0.74 CTSK (0.38) CTSKCTSSCA1CA2NOS1
SCHEMBL5216229 0.74 CTSK (0.38) CTSKCTSSCA1CA2NOS1
SCHEMBL1383756 0.74 CTSK (0.38) CTSKCTSSCA1CA2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9976050-B2 Hydrophilic materials including sulfonate copolymer and amino resin MITSUI CHEMICALS, INC. (JP) 2018-05-22 US disclosed
US-20170210937-A1 HYDROPHILIC MATERIALS INCLUDING SULFONATE COPOLYMER AND AMINO RESIN MITSUI CHEMICALS, INC. (JP) 2017-07-27 US disclosed