SCHEMBL7185046

SCHEMBL7185046

Cc1cccc(CC[C@H](NC(=O)CCCCNC(=O)OCc2ccccc2)C(O)c2nc(C(=O)NCc3cccc(Cl)c3)co2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
PTGER4 P35408 3/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TPSAB1 Q15661 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FOLH1 Q04609 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL7046902 0.95 HSP90AA1 (0.40) HSP90AA1PTGER4PRSS1PRSS2PRSS3
SCHEMBL7045972 0.93 TP53 (0.38) HSP90AA1PTGER4MAPTMEN1KMT2A
SCHEMBL7046400 0.89 PTGER4 (0.38) PTGER4MAPTFOLH1HDAC3HDAC4
SCHEMBL7049411 0.85 TLR2 (0.38) PTGER4MAPTFOLH1
SCHEMBL7042861 0.84 FOLH1 (0.36) PTGER4MAPTFOLH1BMP1HTT
SCHEMBL7049142 0.83 ANPEP (0.37) PTGER4MAPTFOLH1HDAC3HDAC4
SCHEMBL7042122 0.82 FOLH1 (0.35) PTGER4MAPTFOLH1HDAC1HDAC6
SCHEMBL7046323 0.78 HDAC1 (0.44) PTGER4MAPTFOLH1HDAC3HDAC4
SCHEMBL6061842 0.73 MAPT (0.38) HSP90AA1PTGER4MAPTL3MBTL1FOLH1
SCHEMBL6062759 0.72 PSMB1 (0.55)

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-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed