SCHEMBL8520372

SCHEMBL8520372

C=CCc1ccccc1OOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
ADRA2C P18825 4/20 0.42
HTR1A P08908 3/20 0.42
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
NISCH Q9Y2I1 1/20 0.42
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
LMNA P02545 2/20 0.41
ADRB3 P13945 1/20 0.41
SLC6A2 P23975 1/20 0.41
BDKRB2 P30411 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 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
SCHEMBL3955458 0.90 ALDH1A1 (0.50) KDM4EALDH1A1ADRA2CHTR1AADRA2A
SCHEMBL30083973 0.83 HRH1 (0.55) KDM4EALDH1A1ADRA2CHTR1AADRA2A
SCHEMBL45176 0.83 HRH1 (0.55) KDM4EALDH1A1ADRA2CHTR1AADRA2A
SCHEMBL1685086 0.82 ALDH1A1 (0.47) KDM4EALDH1A1ADRA2CHTR1AADRA2A
SCHEMBL5369650 0.81 HRH1 (0.53) KDM4EALDH1A1ADRA2CHTR1AADRA2A
SCHEMBL5854141 0.81 ADRA2C (0.48) KDM4EALDH1A1ADRA2CHTR1AADRA2A
Nitrogen SCHEMBL10825524 0.80 HRH1 (0.51) KDM4EALDH1A1ADRA2CHTR1AADRA2A
SCHEMBL10824217 0.79 ALDH1A1 (0.45) KDM4EALDH1A1ADRA2CHTR1AADRA2A
SCHEMBL88415 0.78 ALDH1A1 (0.50) KDM4EALDH1A1ADRA2CHTR1AADRA2A
SCHEMBL9352980 0.77 HRH1 (0.47) KDM4EALDH1A1ADRA2CHTR1AADRA2A

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
US-6001793-A Cleaning compositions PENETONE CORPORATION (US) 1999-12-14 US disclosed
US-5877133-A MIXTURE OF FATTY ESTER, NONIONIC SURFACTANT AND COUPLING COMPOUND PENETONE CORPORATION (US) 1999-03-02 US disclosed
WO-1995032275-A1 CLEANING COMPOSITIONS PENETONE CORPORATION (US) 1995-11-30 WO disclosed