SCHEMBL8767735

SCHEMBL8767735

CCN(CCOCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
PPARG P37231 1/20 0.48
CNR2 P34972 2/20 0.46
ACHE P22303 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41

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
Oxirane SCHEMBL11687719 0.92 TSHR (0.47) TSHRPPARGCNR2ACHENOX1
SCHEMBL12258236 0.92 TSHR (0.46) TSHRPPARGCNR2ACHENOX1
SCHEMBL11676203 0.91 CNR2 (0.45) TSHRPPARGCNR2ACHEALDH1A1
SCHEMBL11690666 0.89 MEN1 (0.47) TSHRPPARGCNR2ACHEALDH1A1
SCHEMBL11687381 0.89 PPARG (0.56) TSHRPPARGALDH1A1LMNAHTT
SCHEMBL9768334 0.89 PPARG (0.56) TSHRPPARGALDH1A1LMNAHTT
SCHEMBL11674437 0.88 PPARG (0.50) TSHRPPARGCNR2ALDH1A1LMNA
SCHEMBL11675961 0.88 L3MBTL1 (0.52) TSHRPPARGCNR2NOX1KCNH2
SCHEMBL11507076 0.87 TSHR (0.53) TSHRCNR2ACHENOX1NR1H2
SCHEMBL11574410 0.87 ALDH1A1 (0.48) TSHRPPARGALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4370158-A None JP disclosed
EP-0519459-B1 Disperse dye mixture DYSTAR JAPAN LTD (JP) 1997-09-03 EP disclosed
US-5304222-A Monoazo benzothiazole disperse dye mixture HOECHST MITSUBISHI KASEI CO., LTD. (JP) 1994-04-19 US disclosed
EP-0519459-A2 Disperse dye mixture DyStar Japan Ltd. (JP) 1992-12-23 EP disclosed
JP-H04370158-A DISPERSE DYE MIXTURE MITSUBISHI KASEI HOECHST KK 1992-12-22 JP disclosed
US-4392998-A One pot diazotization, coupling and quaternization of aminotriazoles BAYER AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
US-4101544-A Water soluble monoazo dyes for polyamide material AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-07-18 US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed