SCHEMBL28150792

SCHEMBL28150792

CCCC(CCC)(C(N)=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
SCN5A Q14524 3/20 0.47
SCN9A Q15858 3/20 0.47
KIF11 P52732 1/20 0.44
LMNA P02545 4/20 0.44
CYP2D6 P10635 3/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KCNN4 O15554 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 4/20 0.41
HIF1A Q16665 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL3631069 0.93 HTT (0.53) HTTKMT2AMAPTSCN5ASCN9A
SCHEMBL20541470 0.91 HTT (0.54) HTTKMT2AMAPTSCN5ASCN9A
SCHEMBL4558974 0.90 HTT (0.47) HTTKMT2AMAPTSCN5ASCN9A
SCHEMBL27510376 0.90 HTT (0.50) HTTKMT2AMAPTSCN5ASCN9A
SCHEMBL4002970 0.84 TSHR (0.53) HTTKMT2AMAPTKIF11LMNA
SCHEMBL431187 0.84 HTT (0.59) HTTKMT2AMAPTKIF11LMNA
SCHEMBL27494704 0.82 TSHR (0.45) HTTKMT2AMAPTSCN5ASCN9A
SCHEMBL27283802 0.81 TSHR (0.47) HTTKMT2AMAPTKIF11LMNA
SCHEMBL4757411 0.81 KMT2A (0.48) HTTKMT2AMAPTKIF11LMNA
SCHEMBL16416822 0.81 HTT (0.49) HTTKMT2AMAPTSCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106840970-B One kind digitizing inversion pulse concrete rheological analyzer based on DSP 徐州工程学院 2019-07-12 CN claimed
CN-106840970-A One kind digitizes inversion pulse concrete rheological analyzer and its method of work based on DSP 徐州工程学院 2017-06-13 CN claimed
CN-106840970-B One kind digitizing inversion pulse concrete rheological analyzer based on DSP 徐州工程学院 2019-07-12 CN disclosed
CN-106840970-A One kind digitizes inversion pulse concrete rheological analyzer and its method of work based on DSP 徐州工程学院 2017-06-13 CN disclosed