SCHEMBL7722150

SCHEMBL7722150

CC(C)(C)OC(=O)N1C[C@H](Oc2cccc(-c3ccccc3)c2)C[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.50
UCHL1 P09936 1/20 0.46
FAAH O00519 1/20 0.44
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL7722217 0.91 MCL1 (0.50) MCL1UCHL1BCL2BCL2L1
SCHEMBL252870 0.90 MCL1 (0.51) MCL1UCHL1
SCHEMBL9544995 0.90 MCL1 (0.51) MCL1UCHL1
SCHEMBL6842708 0.90 MCL1 (0.51) MCL1UCHL1
SCHEMBL192536 0.90 MCL1 (0.51) MCL1UCHL1
SCHEMBL23452261 0.90 MCL1 (0.51) MCL1UCHL1
SCHEMBL29015574 0.90 MCL1 (0.51) MCL1UCHL1
SCHEMBL192535 0.90 MCL1 (0.51) MCL1UCHL1
SCHEMBL16369950 0.87 MCL1 (0.42) MCL1UCHL1
SCHEMBL16370849 0.87 MCL1 (0.42) MCL1UCHL1

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-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed