SCHEMBL6939205

SCHEMBL6939205

CCCCC(CC)COc1ccc2c(-c3ccc(CO)cc3)c3cc(OCC(CC)CCCC)ccc3c(-c3ccc(CO)cc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 3/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PTPN11 Q06124 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32

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
SCHEMBL6935883 0.88 ALDH1A1 (0.34) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL10427842 0.84 TDP1 (0.46) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL4935575 0.83 LTA4H (0.38) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL6940072 0.83 TDP1 (0.42) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL5478367 0.82 ABL1 (0.36) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL26510417 0.81 CYP3A4 (0.47) TDP1ALDH1A1CYP3A4CA2MAPK1
SCHEMBL3257658 0.79 ALDH1A1 (0.40) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL3419305 0.79 TDP1 (0.37) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL22375400 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2MAPK1LMNA
SCHEMBL13433253 0.78 TDP1 (0.36) TDP1ALDH1A1CYP3A4CA2TSHR

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-1164178-B1 Electroluminescent devices having arylamine polymers EASTMAN KODAK CO (US) 2003-09-03 EP disclosed
EP-1164178-A1 Electroluminescent devices having arylamine polymers EASTMAN KODAK COMPANY (US) 2001-12-19 EP disclosed
US-6329086-B1 GOOD SOLUBILITY, EFFICIENCY AND STABILITY; EMITTING COLOR OF THE POLYMER CAN BE EASILY TUNED BY THE INCORPORATION OF DESIRED AROMATIC GROUP; POLYARYLENEVINYLENE EASTMAN KODAK COMPANY 2001-12-11 US disclosed