SCHEMBL27352255

SCHEMBL27352255

CCOC(=O)/C=C/C(=O)OCCCCn1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL26033595 0.85 TBXAS1 (0.48) TBXAS1ALDH1A1MEN1KMT2A
SCHEMBL11280376 0.84 TBXAS1 (0.67) TBXAS1
SCHEMBL11280406 0.84 TBXAS1 (0.67) TBXAS1
SCHEMBL25775868 0.84 TBXAS1 (0.52) TBXAS1
SCHEMBL17549318 0.81 TBXAS1 (0.54) TBXAS1ALDH1A1
SCHEMBL15506130 0.80 TBXAS1 (0.56) TBXAS1LMNAKDM4EMEN1KMT2A
SCHEMBL16090981 0.79 TBXAS1 (0.47) TBXAS1LMNAMEN1KMT2A
SCHEMBL14384312 0.77 EGLN3 (0.46) TBXAS1LMNAMEN1KMT2A
SCHEMBL12374733 0.77 EGLN3 (0.46) TBXAS1LMNAMEN1KMT2A
SCHEMBL27831478 0.77 TBXAS1 (0.50) TBXAS1ALDH1A1MEN1KMT2A

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
CN-1043423-C New phosphonosuccinic acid derivatives processes for the preparation thereof and pharmaceutical compositions containing these compounds BOEHRINGER MANNHEIM GMBH (DE) 1999-05-19 CN disclosed