SCHEMBL8007580

SCHEMBL8007580

CC(C)(CC#N)OC(=O)c1ccc2c(c1)C(CO[C]=O)c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
HTR7 P34969 5/20 0.32
HTR2B P41595 5/20 0.32
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
FABP5 Q01469 2/20 0.31
FABP7 O15540 1/20 0.31

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
SCHEMBL3056225 0.78 TTR (0.42) EPHX2HTR7HTR2BKMT2ACA1
SCHEMBL4678800 0.74 KMT2A (0.41) EPHX2HTR7HTR2BKMT2ACA1
SCHEMBL7764 0.71 CA1 (0.53) EPHX2KMT2ACA1CA2FABP5
SCHEMBL22320252 0.69 HTR2A (0.40) CA1CA2FABP5
SCHEMBL1934963 0.69 AKR1B1 (0.41) EPHX2KMT2ACA1CA2FABP5
SCHEMBL18055683 0.69 CA1 (0.42) EPHX2KMT2ACA1CA2FABP5
Tert-Butyl Formate SCHEMBL2890845 0.68 CA1 (0.41) EPHX2KMT2ACA1CA2FABP5
SCHEMBL27768296 0.68 CA1 (0.41) EPHX2KMT2ACA1CA2FABP5
SCHEMBL135438 0.67 CA1 (0.44) EPHX2KMT2ACA1CA2FABP5
SCHEMBL28678862 0.67 CA1 (0.40) EPHX2KMT2ACA1CA2FABP5

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
WO-2000009544-A1 HEPTAPEPTIDE LHRH ANALOGS ABBOTT LABORATORIES (US) 2000-02-24 WO disclosed