SCHEMBL6545688

SCHEMBL6545688

CCCCCCCCOc1c(C(C)(C)C)cc(C(C)(C)C)c2c1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1OPO2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.36
CD14 P08571 3/20 0.36
LY96 Q9Y6Y9 3/20 0.36
RXRA P19793 5/20 0.35
PPARG P37231 3/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
RARG P13631 1/20 0.32
ELANE P08246 1/20 0.30
CD69 Q07108 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL2369331 0.89 TLR4 (0.34) TLR4CD14LY96
SCHEMBL8633940 0.74 ELANE (0.35) TLR4CD14LY96ELANECD69
SCHEMBL8907901 0.73 CNR1 (0.37)
SCHEMBL5051084 0.71 TLR4 (0.35) TLR4CD14LY96RXRARXRB
SCHEMBL6435626 0.71 TLR4 (0.35) TLR4CD14LY96RXRARXRB
SCHEMBL6431828 0.71 TLR4 (0.35) TLR4CD14LY96RXRARXRB
SCHEMBL5048789 0.71 TLR4 (0.35) TLR4CD14LY96RXRARXRB
SCHEMBL14533611 0.71 TLR4 (0.35) TLR4CD14LY96RXRARXRB
SCHEMBL1531365 0.71 TLR4 (0.35) TLR4CD14LY96RXRARXRB
SCHEMBL98164 0.71 TLR4 (0.35) TLR4CD14LY96RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377564-A2 TRANSITION-METAL-CATALYZED PROCESS FOR THE PREPARATION OF STERICALLY HINDERED N-SUBSTITUTED ALKOXYAMINES Ciba SC Holding AG (CH) 2004-01-07 EP disclosed
EP-1353959-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-10-22 EP disclosed
EP-1349877-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-10-08 EP disclosed
EP-1341823-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-09-10 EP disclosed
WO-2002079182-A2 TRANSITION-METAL-CATALYZED PROCESS FOR THE PREPARATION OF STERICALLY HINDERED N-SUBSTITUTED ALKOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO disclosed
WO-2002048203-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed
WO-2002048202-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed
WO-2002048204-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed