SCHEMBL4416397

SCHEMBL4416397

O=C(O)COc1cccc([CH]c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
LMNA P02545 1/20 0.58
PTPN7 P35236 1/20 0.56
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
ACMSD Q8TDX5 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 1/20 0.49
FABP4 P15090 2/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
FFAR1 O14842 1/20 0.47

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
SCHEMBL353914 0.85 MAOA (0.61) ALOX15LMNAPTPN7MAPK1ACMSD
SCHEMBL5942013 0.83 LMNA (0.58) ALOX15LMNAPTPN7MAPK1MEN1
SCHEMBL3175679 0.83 LMNA (0.54) ALOX15LMNAPTPN7MAPK1ACMSD
SCHEMBL3175689 0.83 LMNA (0.54) ALOX15LMNAPTPN7MAPK1ACMSD
SCHEMBL413254 0.82 LMNA (0.81) ALOX15LMNAPTPN7MAPK1MEN1
SCHEMBL2769712 0.80 PPARA (0.53) ALOX15LMNAPTPN7MAPK1MEN1
SCHEMBL4683688 0.80 CCNB2 (0.65) ALOX15LMNAPTPN7MAPK1ACMSD
SCHEMBL4683690 0.80 CCNB2 (0.65) ALOX15LMNAPTPN7MAPK1ACMSD
SCHEMBL4683425 0.78 LMNA (0.53) ALOX15LMNAPTPN7MAPK1ACMSD
SCHEMBL14143474 0.78 KDM4E (0.57) ALOX15LMNAPTPN7ACMSDKDM4E

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
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 EP disclosed