SCHEMBL7770035

SCHEMBL7770035

Nc1c(O)cccc1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.49
MAOA P21397 4/20 0.48
MAOB P27338 4/20 0.48
BID P55957 1/20 0.47
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
BAK1 Q16611 1/20 0.47
DHFR P00374 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 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
SCHEMBL29875751 0.87 TAAR1 (0.50) MPOTAAR1KDM4E
SCHEMBL563903 0.84 BCL2 (0.55) BCL2L1PKM
SCHEMBL987688 0.83 MPO (0.60) MPOBIDBCL2L1MCL1BAK1
SCHEMBL103958 0.82 MAOB (0.50) MAOAMAOBDHFRTAAR1HTR1A
SCHEMBL1426622 0.82 IAPP (0.52) MPOBIDBCL2L1MCL1BAK1
SCHEMBL30468688 0.81 MPO (0.58) MPOBIDBCL2L1MCL1BAK1
Water SCHEMBL27860759 0.81 MPO (0.58) MPOBIDBCL2L1MCL1BAK1
Potassium SCHEMBL30848210 0.81 MPO (0.58) MPOBIDBCL2L1MCL1BAK1
SCHEMBL503086 0.80 MPO (0.49) MPOBIDBCL2L1MCL1BAK1
SCHEMBL9423904 0.79 HTR1A (0.48) MPOMAOAMAOBBIDBCL2L1

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-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
EP-1107972-A1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN Ciba SC Holding AG (CH) 2001-06-20 EP disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed
WO-2000012513-A1 NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed