SCHEMBL28947296

SCHEMBL28947296

CCC=C(C)C(=O)OCCN(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
CYP2D6 P10635 3/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAOA P21397 1/20 0.41
HTR3A P46098 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP3A4 P08684 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 4/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39

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
SCHEMBL1128073 0.86 LMNA (0.39) LMNACYP2D6TSHRCYP1A2MAOA
SCHEMBL25412762 0.86 LMNA (0.39) LMNACYP2D6TSHRCYP1A2MAOA
SCHEMBL1060297 0.85 LMNA (0.42) LMNACYP2D6TSHRCYP1A2MAOA
SCHEMBL5604794 0.84 CHRM1 (0.47) LMNACYP1A2MAOAHRH3CYP3A4
SCHEMBL9066701 0.83 MEN1 (0.42) LMNACYP2D6TSHRCYP1A2MAOA
SCHEMBL29664552 0.83 THRB (0.41) LMNACYP2D6TSHRCYP1A2MAOA
SCHEMBL12984317 0.82 THRB (0.42) LMNACYP2D6TSHRNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL29268857 0.82 CHRM2 (0.46) LMNACYP1A2MAOAHRH3CYP3A4
Hydrochloric Acid SCHEMBL28379284 0.81 ESR1 (0.45) LMNATSHRCYP3A4NPSR1BLM
SCHEMBL28206941 0.81 CHRM2 (0.40) LMNACYP2D6TSHRCYP1A2MAOA

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-115698265-A Method and apparatus for separating microvesicles 高丽大学校算学协力团 2023-02-03 CN disclosed