SCHEMBL28067472

SCHEMBL28067472

CC1CC(CO)CCC1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
EPHX2 P34913 1/20 0.35
NR1H2 P55055 1/20 0.31
PYGL P06737 1/20 0.30
GAA P10253 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
SCHEMBL7066734 0.83 CA1 (0.40) CA1CA2CA4
SCHEMBL11373267 0.81 CA1 (0.39) CA1CA2CA4
SCHEMBL13890112 0.81 CA1 (0.39) SLC18A3CA1CA2CA4EPHX2
SCHEMBL17106184 0.80 EPHX2 (0.38) EPHX2NR1H2
SCHEMBL17993762 0.80
SCHEMBL5243308 0.80 EPHX2 (0.38) EPHX2NR1H2
SCHEMBL17106187 0.80 EPHX2 (0.38) EPHX2NR1H2
SCHEMBL10109723 0.80
SCHEMBL264489 0.80
SCHEMBL21037827 0.79 CA1 (0.37) CA1CA2CA4

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-103298884-B Non halogen flame retardant thermoplastic polyurethane LUBRIZOL ADVANCED MATERIALS, INC. (US) 2016-05-25 CN disclosed