SCHEMBL4417319

SCHEMBL4417319

CCc1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.73
MAOA P21397 5/20 0.64
ALOX5 P09917 1/20 0.62
RXRA P19793 1/20 0.61
RXRB P28702 1/20 0.61
RXRG P48443 1/20 0.61
DHFR P00374 1/20 0.56
FFAR1 O14842 1/20 0.54

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
SCHEMBL1680762 0.85 MAOB (1.00) MAOBMAOAALOX5RXRARXRB
SCHEMBL10169470 0.85 MAOB (0.71) MAOBMAOAALOX5RXRARXRB
SCHEMBL30398136 0.83 MAOB (0.73) MAOBMAOAALOX5RXRARXRB
SCHEMBL8414617 0.83 MAOB (0.73) MAOBMAOAALOX5RXRARXRB
SCHEMBL9626627 0.83 MAOB (0.73) MAOBMAOAALOX5RXRARXRB
SCHEMBL23004585 0.83 MAOB (0.73) MAOBMAOAALOX5RXRARXRB
SCHEMBL30397454 0.83 MAOB (0.73) MAOBMAOAALOX5RXRARXRB
SCHEMBL3624161 0.83 MAOB (0.73) MAOBMAOAALOX5RXRARXRB
SCHEMBL11959143 0.82 MAOB (0.72) MAOBMAOAALOX5RXRARXRB
SCHEMBL21234325 0.82 MAOB (0.67) MAOBMAOAALOX5RXRARXRB

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 5 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 claimed
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 WO disclosed