SCHEMBL9820086

SCHEMBL9820086

CCC(C(=O)OCO)C(=O)OCO

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PRKCA P17252 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL6458955 0.93 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL230068 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28990190 0.79 ACHE (0.41) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
Hydrochloric Acid SCHEMBL27522636 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
Ammonia Solution, Strong SCHEMBL27830684 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL26658212 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10628779 0.78 CA2 (0.41) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL28054134 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28077349 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10422862 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM

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
EP-0268460-B1 NEW PERCUTANEOUS ABSORPTION ENHANCERS, COMPOSITIONS CONTAINING SAME AND METHOD OF USE Macrochem Corporation (US) 1991-11-06 EP disclosed
US-4929291-A POLYCAPROLACTONE, OXIDIZERS, PLASTICIZERS THIOKOL CORPORATION (US) 1990-05-29 US disclosed
EP-0268460-A1 New percutaneous absorption enhancers, compositions containing same and method of use Macrochem Corporation (US) 1988-05-25 EP disclosed
US-4336408-A 2-Hydroxymethyl-1,3-propanediol preparation THIOKOL CORPORATION (US) 1982-06-22 US disclosed