SCHEMBL28167209

SCHEMBL28167209

C=COC(=O)C(=C)CN1CCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
BLM P54132 1/20 0.37
PIK3CD O00329 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL1226609 0.83 TSHR (0.54) TSHRHTTKMT2ASMN1; SMN2BLM
Ethylene SCHEMBL28771202 0.81 TSHR (0.53) TSHRHTTKMT2ASMN1; SMN2BLM
SCHEMBL28977315 0.78 TSHR (0.49) TSHRHTTKMT2ASMN1; SMN2BLM
SCHEMBL11760214 0.77 TSHR (0.59) TSHRHTTKMT2ASMN1; SMN2BLM
SCHEMBL4372909 0.77 TSHR (0.51) TSHRHTTKMT2ASMN1; SMN2BLM
SCHEMBL28870605 0.77 TSHR (0.47) TSHRHTTKMT2ASMN1; SMN2PIK3CD
SCHEMBL28565454 0.72 TSHR (0.41) TSHRHTTKMT2ASMN1; SMN2BLM
SCHEMBL8219149 0.72 POLB (0.43) TSHRKMT2ASMN1; SMN2BLMPIK3CD
SCHEMBL7601362 0.71 TSHR (0.60) TSHRHTTKMT2ABLMPIK3CD
SCHEMBL10817574 0.71 TSHR (0.51) TSHRHTTKMT2ASMN1; SMN2BLM

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
CN-109937030-A Skin cosmetic 日清纺控股株式会社 2019-06-25 CN disclosed
CN-107146903-A A kind of polymer electrolyte membrane for fuel cell 宁波市智能制造产业研究院 2017-09-08 CN disclosed