SCHEMBL3198543

SCHEMBL3198543

CC(C)C1CC[C@@H](C)[C@H](C(=O)OC2C[C@H](C(C)C)CCC2C)C1O[C]=O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 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
SCHEMBL3194768 0.75
SCHEMBL12858198 0.73 EPHX1 (0.33) EPHX1
SCHEMBL3198547 0.71 EPHX1 (0.51) EPHX1
SCHEMBL4951221 0.71 EPHX1 (0.31) EPHX1
SCHEMBL4946409 0.70 TRPA1 (0.35) EPHX1
SCHEMBL1691359 0.69 EPHX1 (0.31) EPHX1
SCHEMBL6716947 0.69 CHRM2 (0.40) EPHX1
SCHEMBL1536315 0.69 EPHX1 (0.31) EPHX1
SCHEMBL6274585 0.69 EPHX1 (0.31) EPHX1
SCHEMBL31571685 0.69 CHRM2 (0.40) EPHX1

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
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US claimed