SCHEMBL28099593

SCHEMBL28099593

CC(C)(C)C(=O)ON1CC[C@@H](CI)C1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 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
SCHEMBL28876754 1.00 NR1H2 (0.30) NR1H2
SCHEMBL27737962 0.92 ENO1 (0.33)
SCHEMBL28007510 0.91 ENO1 (0.31)
SCHEMBL30527152 0.88 NR1H2 (0.33) NR1H2
SCHEMBL27801904 0.83 NR1H2 (0.30) NR1H2
SCHEMBL28170317 0.83 NCF1 (0.37) NR1H2
SCHEMBL27907926 0.83 NCF1 (0.37) NR1H2
SCHEMBL27916742 0.83 NCF1 (0.37) NR1H2
SCHEMBL28128470 0.83 NR1H2 (0.30) NR1H2
SCHEMBL27972983 0.82 AKR1C3 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 CN disclosed
CN-105189499-B naphthyridine derivatives useful as avbeta6 integrin antagonists 葛兰素史克知识产权开发有限公司 2016-09-28 CN disclosed