SCHEMBL5505283

SCHEMBL5505283

O=C1c2c(cccc2-c2cccc3ccccc23)CC1c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CES1 P23141 1/20 0.38
DNMT1 P26358 1/20 0.37
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
PIM1 P11309 1/20 0.36
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALPL P05186 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL5505282 0.81 IDO1 (0.48) CYP19A1SLC6A2SLC6A4SLC6A3DNMT1
SCHEMBL30424198 0.81 ACHE (0.46) CYP19A1SLC6A2SLC6A4SLC6A3MMP13
SCHEMBL5951252 0.75 ACHE (0.56) DNMT1HTR1AHTR7KDM4EALDH1A1
SCHEMBL5953322 0.72 HTR7 (0.43) CYP19A1DNMT1HTR1AHTR7ALDH1A1
SCHEMBL5952027 0.72 HTR7 (0.39) SLC6A3CES1DNMT1HTR1AHTR7
SCHEMBL5952199 0.72 HTR7 (0.41) SLC6A3DNMT1HTR1AHTR7KDM4E
SCHEMBL5951730 0.71 ACHE (0.45) SLC6A3DNMT1HTR1AHTR7ALDH1A1
SCHEMBL5951386 0.70 ACHE (0.42) CYP19A1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5953305 0.70 HTR7 (0.44) CYP19A1DNMT1HTR1AHTR7ALDH1A1
SCHEMBL15874661 0.70 CYP19A1 (0.60) CYP19A1SLC6A2SLC6A4SLC6A3CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007326874-A METHOD FOR PRODUCING SUBSTITUTED INDANONE TARGOR GMBH 2007-12-20 JP disclosed