SCHEMBL9818153

SCHEMBL9818153

CCOc1ccccc1C1CCOC(C)(C)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
HTR2C P28335 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
HTT P42858 1/20 0.38
LDHA P00338 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR1A P08908 2/20 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
SCHEMBL9635920 0.84 HTR2C (0.43) HTR2AHTR2BHTR2CTSHRMEN1
SCHEMBL9668305 0.78 TSHR (0.34) TSHR
SCHEMBL28642739 0.75 HTR2B (0.37) HTR2AHTR2BHTR2CSMN1; SMN2HTT
SCHEMBL9635848 0.75 AR (0.37) HTR2AHTR2BHTR2CNPSR1TSHR
SCHEMBL23997598 0.74 CYP3A4 (0.32) SMN1; SMN2ALDH1A1MAPTKDM4EMEN1
SCHEMBL11302784 0.74 HTR2B (0.55) HTR2AHTR2BHTR2CSMN1; SMN2NPSR1
SCHEMBL10798707 0.71 TSHR (0.42) TSHRCHRM4CHRM1SLC6A2SLC6A4
SCHEMBL28631496 0.70 CYP2C9 (0.41) HTR2BSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL11098842 0.69 HTR2B (0.54) HTR2AHTR2BHTR2CSMN1; SMN2NPSR1
SCHEMBL2945319 0.68 HTR1A (0.36) HTR2BHTR1A

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
EP-0246002-B1 ALKENAMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-27 EP disclosed