SCHEMBL28685265

SCHEMBL28685265

CCCC(C)C(=O)C(C(=O)OOC(=O)C(C(=O)C(C)CCC)C(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA1 P00915 3/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL28700075 0.85 SMN1; SMN2 (0.33) SMN1; SMN2CA1CA2
SCHEMBL8458239 0.85 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16588887 0.85 SMN1; SMN2 (0.31) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL2914469 0.78 SMN1; SMN2 (0.41) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL343756 0.75 TSHR (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8462488 0.74 HSD17B10 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1482996 0.73 TSHR (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22775283 0.72 SMN1; SMN2 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL3448289 0.71 CHRM1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29071038 0.70 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1CA1CA2

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-114127045-A Process for the production of diacyl peroxides 诺力昂化学品国际有限公司 2022-03-01 CN disclosed