SCHEMBL29650402

SCHEMBL29650402

CCC1OC(=O)CCC(=O)OC1(O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 2/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL30368329 0.93 SIRT2 (0.35) PRKCALMNATSHRCA1CA9
SCHEMBL29496948 0.77 PRKCA (0.40) PRKCALMNATSHRCYP1A2SIRT2
SCHEMBL28750061 0.68 CA1 (0.44) LMNATSHRCA1CA9CYP1A2
SCHEMBL11781543 0.68 CA1 (0.38) LMNATSHRCA1CA9SIRT2
SCHEMBL28375583 0.66 CA1 (0.42) PRKCALMNATSHRCA1CA9
SCHEMBL28371484 0.64 CA1 (0.41) PRKCATSHRCA1CA9CYP1A2
SCHEMBL7643857 0.63
SCHEMBL277696 0.62 CA1 (0.55) LMNATSHRCA1CA9CYP1A2
SCHEMBL7591600 0.60 PRKCA (0.36) PRKCALMNACYP1A2
SCHEMBL27563697 0.60 CA1 (0.41) CA1CA9CYP1A2

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
EP-3994299-A1 BICOMPONENT THERMOPLASTIC POLYURETHANE FIBERS AND FABRICS MADE THERFROM Lubrizol Advanced Materials, Inc. (US) 2022-05-11 EP disclosed