SCHEMBL29028812

SCHEMBL29028812

C=C(C)C(=O)OCCC1CCCCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
FDPS P14324 2/20 0.39
TSHR P16473 4/20 0.38
KMT2A Q03164 3/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL9345089 0.86 FDPS (0.46) FDPSTSHRKMT2ACYP2D6MEN1
SCHEMBL12293992 0.84 HRH4 (0.37) THRBTSHR
SCHEMBL6050108 0.83 FDPS (0.44) FDPSTSHRKMT2ACYP2D6MEN1
Hydrochloric Acid SCHEMBL7423281 0.81 FDPS (0.42) FDPSTSHRKMT2ACYP2D6MEN1
SCHEMBL29234290 0.81 KMT2A (0.37) FDPSTSHRKMT2ACYP2D6MEN1
SCHEMBL17308699 0.78 ALDH1A1 (0.49) THRBFDPSTSHRALDH1A1CHRM3
SCHEMBL22567313 0.78 THRB (0.46) THRBTSHRALDH1A1CHRM2CHRM4
SCHEMBL1394651 0.78 THRB (0.46) THRBTSHRALDH1A1CHRM2CHRM4
SCHEMBL16874410 0.78 THRB (0.46) THRBTSHRALDH1A1CHRM2CHRM4
SCHEMBL5479801 0.78 THRB (0.40) THRBTSHRALDH1A1HTT

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-116333190-B Multiple-response prodrug polymer, preparation method and application 郑州大学 2024-05-24 CN claimed
CN-116333190-A Multiple-response prodrug polymer, preparation method and application 郑州大学 2023-06-27 CN claimed
CN-116333190-B Multiple-response prodrug polymer, preparation method and application 郑州大学 2024-05-24 CN disclosed
CN-116333190-A Multiple-response prodrug polymer, preparation method and application 郑州大学 2023-06-27 CN disclosed