SCHEMBL4417316

SCHEMBL4417316

C[CH]c1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.65
MAOA P21397 6/20 0.61
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
RXRG P48443 1/20 0.58
ALOX5 P09917 1/20 0.56
DHFR P00374 1/20 0.53
MAPK1 P28482 1/20 0.51
GRM5 P41594 1/20 0.50

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
SCHEMBL30399352 0.84 MAOB (0.65) MAOBMAOARXRARXRBRXRG
SCHEMBL3423658 0.84 MAOB (0.65) MAOBMAOARXRARXRBRXRG
SCHEMBL10169470 0.82 MAOB (0.71) MAOBMAOARXRARXRBRXRG
SCHEMBL4412215 0.81 MAOB (0.68) MAOB
SCHEMBL4417319 0.81 MAOB (0.73) MAOBMAOARXRARXRBRXRG
SCHEMBL3624161 0.80 MAOB (0.73) MAOBMAOARXRARXRBRXRG
SCHEMBL966917 0.80 LMNA (0.60) MAOBMAOA
SCHEMBL11959143 0.80 MAOB (0.72) MAOBMAOARXRARXRBRXRG
SCHEMBL21234325 0.79 MAOB (0.67) MAOBMAOARXRARXRBRXRG
Methyl Alcohol SCHEMBL9626623 0.79 RXRA (0.68) MAOBMAOARXRARXRBRXRG

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 7 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
CN-1208314-C Factor VIIA inhibitor (thio) urea derivatives, their preparation and their use AVENTIS PHARMA GMBH (DE) 2005-06-29 CN 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
CN-1427818-A Factor VIIA inhibitor (thio) urea derivatives, their preparation and their use AVENTIS PHARMA GMBH (DE) 2003-07-02 CN 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