SCHEMBL7651766

SCHEMBL7651766

CC(=O)C(=O)CCCCC(=O)C(C)=O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.72
CES2 O00748 6/20 0.53
CA4 P22748 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.40
THPO P40225 1/20 0.40
PAOX Q6QHF9 1/20 0.39
LMNA P02545 2/20 0.39
CA1 P00915 1/20 0.38
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL5633290 0.97 CES1 (0.68) CES1CES2ALDH1A1TSHRPAOX
SCHEMBL5049781 0.93 CES1 (0.72) CES1CES2CA4ALDH1A1TSHR
SCHEMBL27441411 0.91 CES1 (0.62) CES1CES2CA4ALDH1A1PAOX
SCHEMBL4645240 0.88 CES1 (0.59) CES1CES2ALDH1A1TSHRPAOX
SCHEMBL146633 0.88 CES1 (0.84) CES1CES2ALDH1A1TSHR
SCHEMBL7229888 0.86 CES1 (0.80) CES1CES2ALDH1A1TSHR
SCHEMBL10582661 0.86 CES1 (0.80) CES1CES2ALDH1A1TSHR
SCHEMBL11671856 0.86 CES1 (0.80) CES1CES2ALDH1A1TSHR
SCHEMBL2567828 0.86 CES1 (0.80) CES1CES2ALDH1A1TSHR
SCHEMBL8458714 0.86 CES1 (0.80) CES1CES2ALDH1A1TSHR

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
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed