SCHEMBL7722104

SCHEMBL7722104

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.45
USP30 Q70CQ3 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 2/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC8 Q9BY41 4/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
CYP17A1 P05093 1/20 0.37
HTRA1 Q92743 1/20 0.37

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
SCHEMBL7726519 0.95 POLB (0.42) PABPC1USP30KMT2AL3MBTL1NAMPT
SCHEMBL7731723 0.86 HDAC8 (0.44) PABPC1KMT2ANAMPTNPFFR1NPFFR2
SCHEMBL7727250 0.85 LTA4H (0.45) KDM1APOLBHDAC8
SCHEMBL7731475 0.85 HDAC8 (0.44) PABPC1KMT2APOLBCYP1A2CYP3A4
SCHEMBL7728407 0.85 MEN1 (0.39) PABPC1KMT2ANAMPTNPFFR1NPFFR2
SCHEMBL7728411 0.85 MEN1 (0.39) PABPC1KMT2ANAMPTNPFFR1NPFFR2
SCHEMBL7725703 0.83 POLB (0.43) PABPC1KMT2APTPN1POLBCYP1A2
SCHEMBL7728188 0.83 POLB (0.47) KMT2APTPN1POLBCYP1A2CYP3A4
SCHEMBL7728829 0.80 SIRT2 (0.48) POLBHDAC8
SCHEMBL7722182 0.80 CYP17A1 (0.53) PABPC1KMT2ANAMPTNPFFR1NPFFR2

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