SCHEMBL28347176

SCHEMBL28347176

CC1(C)OB(c2cc(F)c3c(c2)CCN(C(=O)O)C3=O)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
NOTUM Q6P988 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
SCHEMBL16375063 0.85 ROCK1 (0.38) ROCK1
SCHEMBL22497768 0.76 ROCK1 (0.39) ROCK1LPLLIPG
SCHEMBL12502368 0.74 NOTUM (0.43) ROCK1F2F11PRSS1PRSS2
SCHEMBL27212326 0.72 NOTUM (0.42) ROCK1F2F11PRSS1PRSS2
SCHEMBL27157750 0.72 ROCK1 (0.36) ROCK1LPLLIPG
SCHEMBL20271077 0.70 ROCK1 (0.41) ROCK1F2F11PRSS1PRSS2
SCHEMBL16195920 0.69 CYP11B2 (0.50)
SCHEMBL1477653 0.69 ROCK1 (0.37) ROCK1LPLLIPG
SCHEMBL6127173 0.69 LPL (0.41) ROCK1F11LPLLIPG
SCHEMBL28347181 0.68 SMN1; SMN2 (0.33) NOTUM

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-110698481-A Heteroaryl pyridone and aza-pyridone amide compounds 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed