SCHEMBL23463333

SCHEMBL23463333

CCN(C)C(CCC(C)=O)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.31
SLC15A2 Q16348 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PAOX Q6QHF9 1/20 0.30

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
SCHEMBL8278660 0.83 CHRM1 (0.41) CHRM1TDP1
SCHEMBL19546492 0.80 ALDH1A1 (0.41) ALDH1A1CHRM1LMNASLC15A2PAOX
SCHEMBL11890791 0.78 USP2 (0.31) ALDH1A1TDP1
SCHEMBL27009141 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23463264 0.75 ALDH1A1 (0.36) ALDH1A1CHRM1LMNASLC15A2TDP1
SCHEMBL27009124 0.72 CHRM1 (0.33) ALDH1A1CHRM1PAOX
SCHEMBL17591543 0.72 KISS1R (0.41)
SCHEMBL17772936 0.68 ALOX15 (0.45) CHRM1TDP1
SCHEMBL21559879 0.67 ALOX15 (0.35)
SCHEMBL23463132 0.67 ALDH1A1 (0.36) ALDH1A1CHRM1LMNASLC15A2TDP1

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
WO-2021109351-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 重庆阿普格雷生物科技有限公司 2021-06-10 WO disclosed
WO-2021103342-A1 POLYETHYLENE GLYCOL CONJUGATED DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed