SCHEMBL7079097

SCHEMBL7079097

CCCCOc1cccc(C=COCC)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.62
TLR2 O60603 2/20 0.62
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AHR P35869 1/20 0.47
TSHR P16473 1/20 0.45
CHRNA7 P36544 1/20 0.44
LTA4H P09960 2/20 0.44
LCK P06239 1/20 0.42
APP P05067 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RELA Q04206 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
SCHEMBL27903200 0.87 KDM4E (0.60) TLR4TLR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL22563300 0.86 TLR4 (0.63) TLR4TLR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL22551252 0.86 TLR4 (0.63) TLR4TLR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL22551251 0.86 TLR4 (0.63) TLR4TLR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL7075501 0.83 KDM4E (0.56) TLR4TLR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL30801508 0.83 TLR4 (0.67) TLR4TLR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL17864841 0.81 TLR4 (0.65) TLR4TLR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL28056231 0.81 KDM4E (0.47) TLR4TLR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL15026227 0.79 TLR4 (0.55) TLR4TLR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3210547 0.79 TLR4 (0.61) TLR4TLR2SMN1; SMN2AHRTSHR

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
EP-0588544-A2 Fine pattern forming material and pattern formation process WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1994-03-23 EP claimed
CN-102870047-B Positive radiation-sensitive composition, display element interlayer dielectric and forming method thereof JSR CORP. (JP) 2016-03-02 CN disclosed
EP-0780732-B1 Polymer composition and resist material WAKO PURE CHEM IND LTD (JP) 2003-07-09 EP disclosed