SCHEMBL7723544

SCHEMBL7723544

NCC(=O)NC1CNC(C(=O)NC(CCc2ccccc2)C(=O)Nc2cc(Cl)ccc2O)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
MASP2 O00187 8/20 0.41
F2 P00734 2/20 0.41
POLB P06746 1/20 0.36
PADI4 Q9UM07 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
KCNMA1 Q12791 1/20 0.35
CTSC P53634 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PSMB5 P28074 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL21523180 1.00 ALOX15 (0.44) ALOX15MAPK1MASP2F2POLB
SCHEMBL7723535 1.00 ALOX15 (0.44) ALOX15MAPK1MASP2F2POLB
SCHEMBL7722218 0.91 MMP8 (0.37) MASP2F2PADI4PADI2KCNMA1
SCHEMBL21436233 0.91 MMP8 (0.37) MASP2F2PADI4PADI2KCNMA1
SCHEMBL21436517 0.88 F2 (0.36) MASP2F2PADI4PADI2CTSC
SCHEMBL7722316 0.88 F2 (0.36) MASP2F2PADI4PADI2CTSC
SCHEMBL21436585 0.87 ALOX15 (0.45) ALOX15MAPK1MASP2F2PADI4
SCHEMBL7733115 0.87 ALOX15 (0.45) ALOX15MAPK1MASP2F2PADI4
SCHEMBL7721710 0.87 ALOX15 (0.45) ALOX15MAPK1MASP2F2PADI4
SCHEMBL7733101 0.87 ALOX15 (0.45) ALOX15MAPK1MASP2F2PADI4

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