SCHEMBL7726519

SCHEMBL7726519

CC(C)(C)OC(=O)NCC(=O)NC1C[C@@H](C(=O)Nc2ccc(Cc3ccccc3)cc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
USP30 Q70CQ3 1/20 0.42
PABPC1 P11940 1/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC8 Q9BY41 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NAMPT P43490 2/20 0.40
NPC1 O15118 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
PTPN1 P18031 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 1/20 0.38
CYP17A1 P05093 1/20 0.38
HTRA1 Q92743 1/20 0.38

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
SCHEMBL7722104 0.95 PABPC1 (0.45) POLBUSP30PABPC1KMT2AL3MBTL1
SCHEMBL7731723 0.91 HDAC8 (0.44) POLBPABPC1KMT2AHDAC8CYP1A2
SCHEMBL7727250 0.90 LTA4H (0.45) POLBHDAC8NPC1LMNA
SCHEMBL7731475 0.90 HDAC8 (0.44) POLBPABPC1KMT2AHDAC8CYP1A2
SCHEMBL7728407 0.89 MEN1 (0.39) POLBPABPC1KMT2AHDAC8CYP1A2
SCHEMBL7728411 0.89 MEN1 (0.39) POLBPABPC1KMT2AHDAC8CYP1A2
SCHEMBL7725703 0.88 POLB (0.43) POLBPABPC1KMT2AHDAC8CYP1A2
SCHEMBL7728188 0.88 POLB (0.47) POLBKMT2AHDAC8CYP1A2CYP3A4
SCHEMBL7728829 0.85 SIRT2 (0.48) POLBHDAC8
SCHEMBL7729234 0.81 HDAC4 (0.44) POLBKMT2AHDAC8CYP1A2CYP3A4

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