SCHEMBL9345292

SCHEMBL9345292

[CH2]C(COCCCC)OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PLA2G2C Q5R387 4/20 0.41
CES2 O00748 1/20 0.40
ADRA1D P25100 1/20 0.40
PTAFR P25105 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
USP2 O75604 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
PRKCA P17252 2/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL10660761 0.93 PLA2G2C (0.50) PLA2G2CCES2ADRA1DPTAFRHTR1D
SCHEMBL9133399 0.89 HSD17B10 (0.43) ALDH1A1PLA2G2CADRA1DPTAFRHTR1D
SCHEMBL9363529 0.84 HTT (0.40) ALDH1A1PLA2G2CCES2USP2KDM4E
SCHEMBL10701217 0.83 PLA2G2C (0.43) PLA2G2CCES2ADRA1DPTAFRHTR1D
SCHEMBL28606066 0.82 ADRA1D (0.52) ALDH1A1PLA2G2CCES2ADRA1DPTAFR
SCHEMBL8719451 0.80 TSHR (0.40) ALDH1A1ALOX15TSHRPRKCA
SCHEMBL27381941 0.79 ADRA1D (0.47) ALDH1A1PLA2G2CCES2ADRA1DPTAFR
SCHEMBL107643 0.79 ALDH1A1 (0.47) ALDH1A1PLA2G2CCES2ADRA1DPTAFR
SCHEMBL13449716 0.78 ADRA1D (0.49) ALDH1A1PLA2G2CCES2ADRA1DPTAFR
SCHEMBL4324597 0.78 PRKCA (0.59) ALDH1A1PLA2G2CADRA1DPTAFRHTR1D

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
EP-0391121-B1 Monoazo dyes, their preparation and use CASSELLA FARBWERKE MAINKUR AG (DE) 1994-11-23 EP disclosed
EP-0387642-B1 Mixture of dyes CASSELLA FARBWERKE MAINKUR AG (DE) 1994-07-27 EP disclosed
EP-0222255-B1 MIXTURES OF BLUE DISPERSE DYES AND THEIR USE IN DYEING POLYESTERS CASSELLA Aktiengesellschaft (DE) 1992-08-26 EP disclosed
US-RE33908-E Mixtures of blue mono-azo disperse dyestuffs and their use for dyeing polyester CASSELLA AKTIENGESELLSCHAFT (DE) 1992-05-05 US disclosed
US-5071443-A BLUE AZO DYESTUFF MIXTURE FOR STRONG BLUE COLOR ON HYDROPHOBIC FIBERS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0391121-A1 Monoazo dyes, their preparation and use CASSELLA Aktiengesellschaft (DE) 1990-10-10 EP disclosed
EP-0387642-A2 Mixture of dyes CASSELLA Aktiengesellschaft (DE) 1990-09-19 EP disclosed
US-4678476-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1987-07-07 US disclosed
EP-0222255-A2 Mixtures of blue disperse dyes and their use in dyeing polyesters CASSELLA Aktiengesellschaft (DE) 1987-05-20 EP disclosed