SCHEMBL7652590

SCHEMBL7652590

CCCCC(C=CC(=O)OOC(=O)C=CC(CC)CCCC)CC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA2 P00918 8/20 0.39
CA1 P00915 4/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
ATM Q13315 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
CTSK P43235 1/20 0.35
HCAR2 Q8TDS4 3/20 0.34

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
SCHEMBL7652587 1.00 TSHR (0.48) TSHRSMN1; SMN2CA2CA1ACHE
SCHEMBL6476706 0.86 TSHR (0.46) TSHRSMN1; SMN2CA2CA1ACHE
SCHEMBL6476703 0.86 TSHR (0.46) TSHRSMN1; SMN2CA2CA1ACHE
SCHEMBL4826149 0.81 ACHE (0.53) TSHRSMN1; SMN2CA2CA1ACHE
SCHEMBL6065132 0.81 TSHR (0.52) TSHRSMN1; SMN2CA2CA1ACHE
SCHEMBL6065128 0.81 TSHR (0.52) TSHRSMN1; SMN2CA2CA1ACHE
SCHEMBL4826151 0.81 ACHE (0.53) TSHRSMN1; SMN2CA2CA1ACHE
SCHEMBL27783512 0.80 HCAR2 (0.56) TSHRSMN1; SMN2ATMHCAR2
SCHEMBL3720872 0.76 ACHE (0.47) TSHRSMN1; SMN2CA2ACHEBACE1
SCHEMBL6064447 0.75 TSHR (0.46) TSHRSMN1; SMN2CA2CA1ACHE

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