SCHEMBL8659665

SCHEMBL8659665

O=C(O)C12CCC(c3ccccc31)c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
SLC6A2 P23975 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44

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
SCHEMBL8304137 0.81 HTR2A (0.46) HTR2AMEN1KMT2ALMNAAKR1C1
SCHEMBL1753719 0.76 AKR1C1 (0.41) KDM4ELMNAHTTAKR1C1HDAC9
SCHEMBL8682338 0.75 HTR2A (0.45) HTR2AMEN1TP53CYP3A4CYP2D6
SCHEMBL11884877 0.73 HTR2A (0.55) HTR2AMEN1TP53CYP3A4CYP2D6
SCHEMBL11761249 0.71 HTR2A (0.53) HTR2AMEN1TP53CYP3A4CYP2D6
SCHEMBL11761241 0.71 HTR2A (0.53) HTR2AMEN1TP53CYP3A4CYP2D6
SCHEMBL9035580 0.70 DRD1 (0.38) HTR2AMEN1KMT2ANPC1DRD1
SCHEMBL8602566 0.70 DRD1 (0.38) HTR2AMEN1KMT2ANPC1DRD1
SCHEMBL8601899 0.70 DRD1 (0.38) HTR2AMEN1KMT2ANPC1DRD1
SCHEMBL9035567 0.70 DRD1 (0.38) HTR2AMEN1KMT2ANPC1DRD1

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
JP-10316612-A None JP disclosed
JP-H10316612-A PRODUCTION OF 9,10-DIHYDRO-9,10-ETHANOANTHRACENE-9-CARBOXYLIC ACID BY OXIDATION OF CORRESPONDING ALDEHYDE BAYER AG 1998-12-02 JP disclosed
EP-0878459-A1 Process for preparing 9,10-dihydro-9,10 ethanoanthracen-9-carboxylic acids by oxidation of the corresponding aldehyds BAYER AG (DE) 1998-11-18 EP disclosed
EP-0878459-A1 Process for preparing 9,10-dihydro-9,10 ethanoanthracen-9-carboxylic acids by oxidation of the corresponding aldehyds BAYER AG (DE) 1998-11-18 EP disclosed
EP-0878459-A1 Process for preparing 9,10-dihydro-9,10 ethanoanthracen-9-carboxylic acids by oxidation of the corresponding aldehyds BAYER AG (DE) 1998-11-18 EP disclosed