SCHEMBL3473236

SCHEMBL3473236

C=CCc1cc(O)cc(CC=C)c1S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.45
GABRB2 P47870 4/20 0.45
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
POLB P06746 2/20 0.39
XDH P47989 2/20 0.38
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KMT2A Q03164 2/20 0.36
AKR1B1 P15121 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
ALDH2 P05091 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4045452 0.81 GABRA1 (0.48) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL5931901 0.81 GABRA1 (0.48) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL11261841 0.79 GABRA1 (0.47) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL4306808 0.79 GABRA1 (0.47) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL8730439 0.78 GABRA1 (0.47) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL5849191 0.77 GABRA1 (0.45) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL9721939 0.77 GABRA1 (0.45) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL11063628 0.76 GABRA1 (0.44) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL27861509 0.74 GABRA1 (0.42) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL4446113 0.73 GABRA1 (0.50) GABRA1GABRB2ESR1ESR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077606-A1 REDOX-INITIATED CATIONIC POLYMERIZATION USING VAPOR-STATE REDUCING AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 2010-07-08 WO claimed
WO-2010077606-A1 REDOX-INITIATED CATIONIC POLYMERIZATION USING VAPOR-STATE REDUCING AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 2010-07-08 WO disclosed
US-4056568-A 2,6-Dialkyl-4-hydroxysulfenyl chlorides CROWN ZELLERBACH CORPORATION (US) 1977-11-01 US disclosed
US-4056568-A 2,6-Dialkyl-4-hydroxysulfenyl chlorides CROWN ZELLERBACH CORPORATION (US) 1977-11-01 US disclosed