SCHEMBL9740757

SCHEMBL9740757

CC(C)C[C@@H](C(=O)O)N1CC[C@@]2(CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
ACE P12821 2/20 0.34
MME P08473 2/20 0.34
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
NTSR1 P30989 3/20 0.33
FABP5 Q01469 2/20 0.33
FABP7 O15540 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
ADAM10 O14672 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 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
SCHEMBL7515779 0.89 FABP5 (0.35) EPHX2MDM4TP53FABP5FABP7
SCHEMBL7515772 0.89 FABP5 (0.35) EPHX2MDM4TP53FABP5FABP7
SCHEMBL14265225 0.78 KMT2A (0.38) EPHX2FABP5FABP7
SCHEMBL9740759 0.77 KMT2A (0.37) EPHX2MDM4TP53FABP5FABP7
SCHEMBL14282653 0.77 KMT2A (0.38) EPHX2FABP5FABP7
SCHEMBL9736075 0.77
SCHEMBL9734738 0.77
SCHEMBL9734966 0.77 NTSR1 (0.37) ACEMMENTSR1GRIN2BGRIN2C
SCHEMBL16317480 0.77 GRIN2B (0.54) NTSR1GRIN2BGRIN2CADAM10MMP1
SCHEMBL14219500 0.76 NTSR1 (0.36) ACEMMENTSR1GRIN2BGRIN2C

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-5166136-A SPIROLACTAM CONTAINING PEPTIDES GLAXO GROUP LIMITED (GB) 1992-11-24 US disclosed