SCHEMBL8022865

SCHEMBL8022865

O=C(O)C(CCCCBr)c1ccc(-c2ccc(C(CCCCBr)C(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
TBXAS1 P24557 2/20 0.40
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 2/20 0.38
PTPN1 P18031 1/20 0.38
GSK3B P49841 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 2/20 0.36
PTGS1 P23219 1/20 0.36
RARB P10826 1/20 0.36
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33

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
SCHEMBL8584497 0.87 TBXAS1 (0.51) CPN1CPB2TBXAS1POLBCYP2C19
SCHEMBL6478880 0.87 TBXAS1 (0.51) CPN1CPB2TBXAS1POLBCYP2C19
SCHEMBL28581228 0.86 TBXAS1 (0.54) CPN1CPB2TBXAS1POLBCYP2C19
SCHEMBL8588247 0.81 CYP2C19 (0.50) CPN1CPB2TBXAS1POLBCYP2C19
SCHEMBL8588249 0.81 CYP2C19 (0.50) CPN1CPB2TBXAS1POLBCYP2C19
SCHEMBL9793257 0.81 GSK3B (0.47) TDP1GSK3BALDH1A1CYP2C19AKR1C3
SCHEMBL7565922 0.76 PTGS2 (0.51) POLBL3MBTL1PTGS2GAAPPARG
SCHEMBL14360139 0.75 TBXAS1 (0.60) CPN1CPB2TBXAS1POLBCYP2C19
SCHEMBL30859633 0.75 CYP1A2 (0.43) TBXAS1PTPN1ALDH1A1CYP2C19PTGS1
SCHEMBL961952 0.74 KMT2A (0.51) CPN1CPB2TBXAS1POLBL3MBTL1

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-6040411-A Low glass temperature organosiloxanes CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-03-21 US disclosed