SCHEMBL29205607

SCHEMBL29205607

CC(C)(C)OC(=O)n1c(-c2ccccc2)cc2cc(CC(=O)O)cc([N+](=O)[O-])c21

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.49
NR1H3 Q13133 3/20 0.49

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
SCHEMBL31022658 0.91 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL29185304 0.90 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL30923665 0.89 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL29205600 0.89 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL30182892 0.89 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL29205627 0.89 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL30183206 0.87 NR1H2 (0.47) NR1H2NR1H3
SCHEMBL30182874 0.87 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL29185266 0.87 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL29205634 0.87 NR1H2 (0.47) NR1H2NR1H3

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-117794922-A Indole derivatives, process for their preparation and their use 水疗免疫疗法有限公司 2024-03-29 CN disclosed