SCHEMBL9853320

SCHEMBL9853320

NCCON=CCc1ccc2c3cccc4cccc(c5cccc1c52)c43

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.36
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9853323 0.90 KMT2A (0.38) HTR1BALDH1A1CYP1A2THRBHPGD
SCHEMBL9853348 0.82 GBA1 (0.35) ALDH1A1HPGDHSD17B10
SCHEMBL10436366 0.82 CNR1 (0.34) HTR1B
SCHEMBL9853338 0.75 HTR1B (0.40) HTR1BALDH1A1CYP1A2THRBHPGD
SCHEMBL9853313 0.72 GBA1 (0.42) ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL10436376 0.72 MEN1 (0.38) ALDH1A1HPGDHSD17B10
SCHEMBL20683224 0.71 ALDH1A1 (0.43) HTR1BALDH1A1CYP1A2THRBHPGD
SCHEMBL32665669 0.71 ALDH1A1 (0.43) HTR1BALDH1A1CYP1A2THRBHPGD
SCHEMBL5537879 0.71 KMT2A (0.39) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL9853333 0.70 GBA2 (0.45) HTR1BALDH1A1CYP1A2THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417535-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-03-20 EP claimed
EP-0417535-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-03-20 EP disclosed