SCHEMBL16902845

SCHEMBL16902845

Oc1cccc(OCC2CCC(COc3cccc(O)c3)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.66
CHRNA3 P32297 4/20 0.66
CHRNB2 P17787 3/20 0.59
CHRNA4 P43681 3/20 0.59
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
APP P05067 1/20 0.49
KDM1A O60341 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
CNR2 P34972 1/20 0.47
CNR1 P21554 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL17534232 1.00 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL29639202 1.00 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL22816951 0.93 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL27996245 0.91 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL3098610 0.89 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4APP
SCHEMBL21944935 0.88 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL21944829 0.88 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL3103428 0.87 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL13096985 0.86 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL20744518 0.82 GRIN2D (0.55) CHRNB4CHRNA3CHRNB2CHRNA4KDM1A

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
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed