SCHEMBL7915751

SCHEMBL7915751

[CH](CCc1cccc(Oc2ccccc2)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
FFAR1 O14842 3/20 0.44
DAO P14920 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FDFT1 P37268 7/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL9130820 0.81 FFAR1 (0.45) MAOBFFAR1DAOKDM4EALDH1A1
SCHEMBL7332622 0.81 FFAR1 (0.48) FFAR1DAOKDM4EALDH1A1HTT
SCHEMBL10446473 0.79 FFAR1 (0.46) FFAR1DAOKDM4EALDH1A1HTT
SCHEMBL1115608 0.78 MAOB (0.46) MAOAMAOBALDH1A1TDP1HPGD
SCHEMBL28096942 0.77 G6PC1 (0.55) MAOAMAOBKDM4EALDH1A1HTT
SCHEMBL8618603 0.75 FDFT1 (0.51) FFAR1DAOFDFT1
SCHEMBL5540055 0.75 FFAR1 (0.50) MAOBFFAR1DAOKDM4EALDH1A1
SCHEMBL15565006 0.75 ALDH1A1 (0.58) MAOBFFAR1DAOKDM4EALDH1A1
SCHEMBL11397964 0.75 TLR4 (0.50) MAOAMAOBKDM4EALDH1A1TDP1
SCHEMBL415399 0.75 TAAR1 (0.65) MAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102534-A1 METHOD FOR TREATING WOOD AGAINST THE ATTACK OF HARMFUL FUNGI Dr. Wolman GmbH (DE) 2001-05-30 EP disclosed
US-6211218-B1 DIMETHYLALKYLAMINE, ALIPHATIC DICARBOXYLIC ACID, TRIAZOLE COMPOUNDS AND WATER INSOLUBLE MONOCARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-1014792-A1 SYNERGISTIC COMPOSITIONS COMPRISING IMAZALIL AND EPOXICONAZOLE JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-05 EP disclosed
WO-2000005955-A1 METHOD FOR TREATING WOOD AGAINST THE ATTACK OF HARMFUL FUNGI DR. WOLMAN GMBH (DE) 2000-02-10 WO disclosed
US-5925663-A Benzimidazole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1999-07-20 US disclosed
US-5925675-A N-sulfonyliminodithio compounds useful for in plant and material protection BAYER AKTIENGESELLSCHAFT (DE) 1999-07-20 US disclosed
WO-1999012422-A1 SYNERGISTIC COMPOSITIONS COMPRISING IMAZALIL AND EPOXICONAZOLE JANSSEN PHARMACEUTICA N.V. (BE) 1999-03-18 WO disclosed
US-5880143-A CONSISTING OF DIMETHYLALKYLAMINO, ALIPHATIC DICARBOXYLIC ACID AND A TRIAZOLE BASF AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
US-5874025-A Timber preservative containing a copper compound BAYER AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
US-5804591-A FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1998-09-08 US disclosed
US-5786375-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-28 US disclosed
US-5767137-A FOR INDUSTRIAL MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5760067-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
US-5714507-A FUNGICIDE JANSSEN PHARMACEUTICA, N.V. (BE) 1998-02-03 US disclosed
US-5712304-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-01-27 US disclosed
US-5703103-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5672617-A Medicaments containing 1-thiocarbamoyl-5-hydroxy-pyrazoles and their use as agents for combating septic shock BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed