SCHEMBL28544920

SCHEMBL28544920

NC(=O)OCCOc1ccc(I)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.38
PARP15 Q460N3 2/20 0.38
LMNA P02545 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PARP14 Q460N5 1/20 0.35
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PRSS1 P07477 1/20 0.34
MAOB P27338 1/20 0.34
PPARA Q07869 1/20 0.34
MRGPRX4 Q96LA9 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
SCHEMBL28354504 0.79 SLC7A5 (0.41) PARP10PARP15SIRT2FFAR1MAOB
SCHEMBL28351071 0.77 EPHX2 (0.46) PARP10PARP15SIRT2PPARGPPARD
SCHEMBL5703994 0.77 PARP10 (0.47) PARP10LMNAMEN1KMT2APRSS1
SCHEMBL16502888 0.77 MEN1 (0.54) PARP10LMNAMEN1KMT2APRSS1
SCHEMBL17801666 0.77 KMT2A (0.52) PARP10PARP15MEN1KMT2APARP14
SCHEMBL2821420 0.75 CA12 (0.42) CA1MAOB
SCHEMBL18260811 0.75 MEN1 (0.45) LMNAMEN1KMT2APPARD
SCHEMBL29045152 0.73 KDM4E (0.61) PARP10LMNAMEN1KMT2APPARG
SCHEMBL28554950 0.73 MAP2K1 (0.40) LMNA
SCHEMBL26586977 0.72 FFAR1 (0.33) PPARGPPARDFFAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024466-A Tetra-substituted olefin compound and use thereof 卫材 R&D 管理有限公司 2021-06-25 CN disclosed
CN-107847498-B Tetra-substituted olefin compound and use thereof 卫材R&D管理有限公司 2021-04-13 CN disclosed