SCHEMBL7477006

SCHEMBL7477006

O=C(O)c1ccccc1Cn1ccc2cc(-c3ccc(F)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.51
PPARG P37231 8/20 0.47
METTL3 Q86U44 3/20 0.44
METTL14 Q9HCE5 3/20 0.44
NTSR1 P30989 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL7477635 0.89 PPARG (0.52) SERPINE1PPARGNTSR1
SCHEMBL7524721 0.79 KMT2A (0.57) HDAC1HDAC2HDAC8HDAC6
SCHEMBL7475482 0.79 POLB (0.44) SERPINE1PPARGHDAC2
SCHEMBL4943532 0.78 HTR6 (0.52) SERPINE1HDAC3HDAC1HDAC2HDAC8
SCHEMBL27583578 0.78 SERPINE1 (0.41) SERPINE1PPARGNTSR1
SCHEMBL7482851 0.77 PPARG (0.51) SERPINE1PPARGNTSR1
SCHEMBL7478024 0.74 ALDH1A1 (0.52) SERPINE1PPARG
SCHEMBL14233800 0.73 PPARG (0.70) PPARG
SCHEMBL7014848 0.72 HDAC8 (0.68) PPARGHDAC3HDAC1HDAC2HDAC8
SCHEMBL30185513 0.72 HDAC8 (0.68) PPARGHDAC3HDAC1HDAC2HDAC8

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
CN-1379774-A Compounds ASTRAZENECA AB (SE) 2002-11-13 CN disclosed
EP-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed