SCHEMBL29124707

SCHEMBL29124707

CCOC(=O)CC(C)OC(=O)C(CC(=O)O)C(C)CC(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 5/20 0.33
TSHR P16473 2/20 0.33
TRPA1 O75762 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 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
SCHEMBL29124695 0.83 TDP1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL26073636 0.80 SMN1; SMN2 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5081305 0.79 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL24205730 0.75 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL26073597 0.75 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL25985792 0.75 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11318856 0.74 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL26073594 0.73 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1
Cadaverine Tartrate SCHEMBL30599689 0.73 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6251850 0.73 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1

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-116917264-A Process for preparing hydroxybutyric acid carboxylic ester 凯托利皮克斯治疗有限责任公司 2023-10-20 CN disclosed