SCHEMBL27660977

SCHEMBL27660977

COC(=O)C1=CC=CN(C(=O)OC(C)C)C=C1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.31
BCHE P06276 1/20 0.31
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA7 P43166 3/20 0.30
CA9 Q16790 3/20 0.30
CA14 Q9ULX7 3/20 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
SCHEMBL27868546 0.81 NR1H2 (0.36) BCHE
SCHEMBL5771784 0.74 TSHR (0.39) P2RX4BCHECA12CA1CA2
Hydrochloric Acid SCHEMBL27640178 0.73 TSHR (0.37) P2RX4BCHECA12CA1CA2
SCHEMBL6414618 0.67 TSHR (0.37) CA12CA1CA2CA7CA9
SCHEMBL27209677 0.66 TSHR (0.39) CA12CA1CA2CA7CA9
SCHEMBL19347183 0.63 TSHR (0.33) CA12CA1CA2CA7CA9
SCHEMBL23585326 0.61 TSHR (0.32) CA12CA1CA2CA7CA9
SCHEMBL5552219 0.61 KDM4E (0.33) CA12CA1CA2CA7CA9
SCHEMBL19350785 0.61 ALDH1A1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL27655284 0.60

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-1863778-A Compounds and methods for treating dyslipidemia LILLY CO ELI (US) 2006-11-15 CN disclosed