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Sugi Predict / Compounds / SCHEMBL12856495

SCHEMBL12856495

SCHEMBL12856495

CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3ccccc3-c3ccc(C(=O)c4ccc5c(c4)C4(c6ccccc6-5)c5cc(OCC(C)CC)c(OCC(C)CC)cc5-c5cc(OCC(C)CC)c(OCC(C)CC)cc54)cc31)c1cc(OCC(C)CC)c(OCC(C)CC)cc1-2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 14/20 0.39
▸ FFAR1 O14842 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ IGF1R P08069 1/20 0.34

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
SCHEMBL16360991 0.95 PDK2 (0.35) PDK2FFAR1TLR8ELANEMAPT
SCHEMBL6825504 0.88 TLR8 (0.43) PDK2FFAR1TLR8MAPTLMNA
SCHEMBL13205036 0.84 TLR8 (0.38) PDK2FFAR1TLR8ELANEIGF1R
SCHEMBL17153143 0.84 TLR8 (0.38) PDK2FFAR1TLR8ELANEIGF1R
SCHEMBL1155842 0.82 TLR8 (0.36) PDK2FFAR1TLR8IGF1R
SCHEMBL12856513 0.82 ESR2 (0.36) PDK2TLR8
SCHEMBL13205035 0.81 TLR8 (0.34) PDK2FFAR1TLR8IGF1R
SCHEMBL134317 0.80 TLR8 (0.34) PDK2FFAR1TLR8MAPTLMNA
SCHEMBL4410658 0.79 TLR8 (0.36) PDK2TLR8IGF1R
SCHEMBL1155844 0.78 TLR8 (0.36) PDK2FFAR1TLR8IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 — — US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 — — US disclosed
EP-2281861-A2 Mixture of organic emission-enabled semiconductors and matrix materials, use of same and electronic components containing same Merck Patent GmbH (DE) 2011-02-09 — — EP disclosed
US-7345301-B2 Mixtures of matrix materials and organic semiconductors capable of emission, use of the same and electronic components containing said mixtures MERCK PATENT GMBH (DE) 2008-03-18 — — US disclosed
US-7345301-B2 Mixtures of matrix materials and organic semiconductors capable of emission, use of the same and electronic components containing said mixtures MERCK PATENT GMBH (DE) 2008-03-18 — — US disclosed