SCHEMBL10071624

SCHEMBL10071624

CCC1(COCCCCCCCOc2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc(N(c8ccc(-c9ccc(-c%10ccc(COCCCCCCOCC%11(CC)COC%11)cc%10)cc9)cc8)c8ccc(-c9ccc(-c%10ccc(COCCCCCCOCC%11(CC)COC%11)cc%10)cc9)cc8)cc7)cc6)cc5)c5ccc(-c6ccc(-c7ccc(N(c8ccc(-c9ccc(-c%10ccc(N(c%11ccc(-c%12ccc(-c%13ccc(COCCCCCCOCC%14(CC)COC%14)cc%13)cc%12)cc%11)c%11ccc(-c%12ccc(-c%13ccc(COCCCCCCOCC%14(CC)COC%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)c8ccc(-c9ccc(-c%10ccc(N(c%11ccc(-c%12ccc(-c%13ccc(COCCCCCCOCC%14(CC)COC%14)cc%13)cc%12)cc%11)c%11ccc(-c%12ccc(-c%13ccc(N(c%14ccc(-c%15ccc(-c%16ccc(OCCCCCOCC%17(CC)COC%17)cc%16)cc%15)cc%14)c%14ccc(-c%15ccc(-c%16ccc(OCCCCCOCC%17(CC)COC%17)cc%16)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)COC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GBA1 P04062 1/20 0.36
UGCG Q16739 1/20 0.36
GBA2 Q9HCG7 1/20 0.36
PLA2G4B P0C869 1/20 0.34
APP P05067 4/20 0.33
RARB P10826 3/20 0.33
HRH3 Q9Y5N1 1/20 0.32
NR5A1 Q13285 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
SCHEMBL22478725 0.93 RARB (0.36) RARBHRH3NR5A1
SCHEMBL13770036 0.90 UGCG (0.40) TDP1L3MBTL1GBA1UGCGGBA2
SCHEMBL20652129 0.90 L3MBTL1 (0.40) TDP1L3MBTL1GBA1UGCGGBA2
SCHEMBL12985404 0.90 L3MBTL1 (0.40) TDP1L3MBTL1GBA1UGCGGBA2
SCHEMBL3435034 0.90 MCHR1 (0.38) RARB
SCHEMBL14679364 0.90 MCHR1 (0.38) RARB
SCHEMBL20652107 0.90 L3MBTL1 (0.38) TDP1L3MBTL1GBA1UGCGGBA2
SCHEMBL12974526 0.89 LSS (0.39) RARBHRH3
SCHEMBL18674328 0.89 TDP1 (0.42) TDP1L3MBTL1GBA1UGCGGBA2
SCHEMBL12619857 0.88 KDM4E (0.34) RARBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120074360-A1 Organic Electronic Material, Ink Composition Containing Same, and Organic Thin Film, Organic Electronic Element, Organic Electroluminescent Element, Lighting Device, and Display Device Formed Therewith HITACHI CHEMICAL COMPANY (JP) 2012-03-29 US disclosed
US-20120074360-A1 Organic Electronic Material, Ink Composition Containing Same, and Organic Thin Film, Organic Electronic Element, Organic Electroluminescent Element, Lighting Device, and Display Device Formed Therewith HITACHI CHEMICAL COMPANY (JP) 2012-03-29 US disclosed