SCHEMBL7486740

SCHEMBL7486740

CCOC(=O)C1CC1C(C(=O)C(C1CCCCC1)C1CC1C(=O)OCC)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
EPHX1 P07099 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL7498634 0.95 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ANPSR1CA12
SCHEMBL7494619 0.75 EPHX1 (0.45) ALDH1A1MEN1KMT2AEPHX1KDM4E
SCHEMBL1170182 0.74 TP53 (0.52) ALDH1A1MEN1KMT2AL3MBTL1THRB
SCHEMBL1169984 0.74 TP53 (0.52) ALDH1A1MEN1KMT2AL3MBTL1THRB
SCHEMBL1169988 0.74 TP53 (0.52) ALDH1A1MEN1KMT2AL3MBTL1THRB
SCHEMBL19321646 0.73 TRPM8 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL1030989 0.73 CA1 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL22869421 0.73 TRPM8 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL13748535 0.73 TRPM8 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL7486399 0.73 SLC1A2 (0.44) ALDH1A1MEN1KMT2AEPHX1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed