SCHEMBL28067178

SCHEMBL28067178

C=C(C)C(N)=O.C=C(CC(=O)OCCCC)C(=O)OCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 1/20 0.43
FAAH O00519 2/20 0.41
NAAA Q02083 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAD52 P43351 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.37
HTR2C P28335 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
DGKA P23743 1/20 0.36

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
SCHEMBL194857 0.90 TSHR (0.52) TSHRALDH1A1FAAHNAAANPSR1
SCHEMBL28132099 0.89 TSHR (0.50) TSHRALDH1A1FAAHNAAANPSR1
Hydrochloric Acid SCHEMBL10881989 0.89 TSHR (0.50) TSHRALDH1A1FAAHNAAANPSR1
SCHEMBL15156040 0.87 TSHR (0.58) TSHRALDH1A1FAAHNAAANPSR1
SCHEMBL28117884 0.87 TSHR (0.58) TSHRALDH1A1FAAHNAAANPSR1
SCHEMBL15157019 0.85 TSHR (0.61) TSHRALDH1A1FAAHNAAANPSR1
SCHEMBL1074981 0.85 TSHR (0.59) TSHRFAAHNAAANPSR1RAD52
SCHEMBL28855829 0.85 TSHR (0.57) TSHRALDH1A1FAAHNAAANPSR1
SCHEMBL28796263 0.84 TSHR (0.50) TSHRALDH1A1FAAHNAAANPSR1
SCHEMBL5463128 0.84 TSHR (0.46) TSHRALDH1A1FAAHNAAANPSR1

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
CN-105593274-A Method for producing cellulose nanofiber-containing resin composition, and molded article DAINIPPON INK & CHEMICALS 2016-05-18 CN disclosed