SCHEMBL7722035

SCHEMBL7722035

CC(C)(C)OC(=O)N1C[C@@H](N(C(=O)CN)C(=O)OC(C)(C)C)C[C@@H]1COc1cccc(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.39
SRC P12931 8/20 0.38
MMP13 P45452 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
NR1H2 P55055 3/20 0.36
USP30 Q70CQ3 3/20 0.36
RXRA P19793 2/20 0.36
NR1H3 Q13133 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
GHSR Q92847 1/20 0.35

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
SCHEMBL7733463 1.00 HDAC8 (0.39) HDAC8SRCMMP13FFAR4NR1H2
SCHEMBL7733554 0.92 HDAC8 (0.40) HDAC8SRCMMP13FFAR4USP30
SCHEMBL7721955 0.92 HDAC8 (0.40) HDAC8SRCMMP13FFAR4USP30
SCHEMBL7726796 0.79 USP30 (0.40) HDAC8NR1H2USP30RXRANR1H3
SCHEMBL7727102 0.79 USP30 (0.40) HDAC8NR1H2USP30RXRANR1H3
SCHEMBL7728833 0.77 SIRT2 (0.47) HDAC8GHSR
SCHEMBL8150172 0.76 NR1H2 (0.39) SRCNR1H2
SCHEMBL7722122 0.76 NR1H2 (0.39) SRCNR1H2
SCHEMBL7721935 0.76 NR1H2 (0.39) SRCNR1H2
SCHEMBL7731479 0.74 HDAC8 (0.44) HDAC8GHSR

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