SCHEMBL8033788

SCHEMBL8033788

O=C1CCC(Oc2ccccc2)CCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HTR7 P34969 3/20 0.38
HTR2A P28223 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36
ACLY P53396 1/20 0.36
SCD5 Q86SK9 1/20 0.36

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
SCHEMBL146600 0.78 HRH1 (0.57) HRH1SLC6A4SLC6A2SLC6A3DDB1
SCHEMBL664313 0.76 SIGMAR1 (0.45) SLC6A4SLC6A2SLC6A3HTR7HTR2A
SCHEMBL16708022 0.76 HRH1 (0.59) HRH1SLC6A4SLC6A2SLC6A3CARM1
SCHEMBL29856 0.73 HRH1 (0.71) HRH1SLC6A4SLC6A2SLC6A3DDB1
Fluoride SCHEMBL28194548 0.72 HRH1 (0.63) HRH1SLC6A4SLC6A2SLC6A3CARM1
Ammonia Solution, Strong SCHEMBL8078606 0.71 HRH1 (0.68) HRH1SLC6A4SLC6A2SLC6A3DDB1
SCHEMBL8037832 0.71 CYP2D6 (0.41)
SCHEMBL9417243 0.70 DDB1 (0.47) HRH1SLC6A2SLC6A3DDB1CRBN
SCHEMBL664311 0.70 SRD5A1 (0.45) DDB1CRBN
SCHEMBL28879516 0.70 HRH1 (0.43) HRH1SLC6A4SLC6A2SLC6A3DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548774-B1 Process for producing a lactone or an ester SUMITOMO CHEMICAL CO (JP) 2000-03-15 EP disclosed
US-5405974-A Reacting a ketone, oxygen, an aromatic aldehyde using an aromatic solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-11 US disclosed
EP-0548774-A1 Process for producing a lactone or an ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed