SCHEMBL7726796

SCHEMBL7726796

CC(C)(C)OC(=O)N1C[C@H](N(C(=O)CN)C(=O)OC(C)(C)C)C[C@H]1C(=O)O.NC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.40
MAP2K4 P45985 1/20 0.38
FFAR2 O15552 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
NR1H2 P55055 5/20 0.35
RXRA P19793 2/20 0.35
NR1H3 Q13133 2/20 0.35
HTRA1 Q92743 1/20 0.35
UCHL1 P09936 1/20 0.35
AOC3 Q16853 3/20 0.35
PARP14 Q460N5 1/20 0.34
BRD4 O60885 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL7727102 1.00 USP30 (0.40) USP30MAP2K4FFAR2GPR119NR1H2
SCHEMBL7726101 0.83 HSD17B10 (0.34) NR1H2HTRA1UCHL1
SCHEMBL7727961 0.83 HSD17B10 (0.34) NR1H2HTRA1UCHL1
SCHEMBL7728185 0.83 HSD17B10 (0.34) NR1H2HTRA1UCHL1
SCHEMBL7733463 0.79 HDAC8 (0.39) USP30NR1H2RXRANR1H3HDAC8
SCHEMBL7722035 0.79 HDAC8 (0.39) USP30NR1H2RXRANR1H3HDAC8
SCHEMBL7721955 0.76 HDAC8 (0.40) USP30GPR119HDAC8
SCHEMBL7733554 0.76 HDAC8 (0.40) USP30GPR119HDAC8
SCHEMBL7731725 0.75 HDAC8 (0.44) HTRA1HDAC8
SCHEMBL7726393 0.74 PTPN1 (0.39) NR1H2NR1H3HTRA1

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