SCHEMBL11366017

SCHEMBL11366017

CC(F)c1ccccc1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
ADRA2A P08913 4/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
PTPN1 P18031 2/20 0.38
PTPRC P08575 1/20 0.38
PTPRF P10586 1/20 0.38
CDC25B P30305 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HTR2C P28335 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL5600840 0.85 PTGS2 (0.41) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL31733803 0.83 PTGS2 (0.41) PTGS2ADRA2AADRA2BADRA2CPTPN1
Hydrogen Peroxide SCHEMBL11527811 0.81 PTGDR2 (0.44) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL9203356 0.81 PTGDR2 (0.41) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL11146962 0.80 ADRA2A (0.39) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL7496181 0.79 ADRA2A (0.40) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL61010 0.79 GAA (0.42) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL19523190 0.79 ADRA2A (0.42) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL10049303 0.77 PTGS2 (0.38) PTGS2ADRA2AADRA2BADRA2CPTPN1
SCHEMBL6688085 0.77 PTGDR2 (0.42) PTGS2ADRA2AADRA2BADRA2CPTPN1

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
US-4263457-A CATALYTIC DEHYDROGENATION MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1981-04-21 US disclosed