SCHEMBL28331065

SCHEMBL28331065

CCOCCOCCc1ccc(C=Cc2ccc3cc4ccccc4cc3c2C=Cc2ccc(CCOCCOCC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNA7 P36544 2/20 0.34
▸ NCF1 P14598 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APP P05067 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ RELA Q04206 2/20 0.33
▸ FLT3 P36888 2/20 0.32
▸ NQO2 P16083 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31

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
SCHEMBL56012 0.75 RELA (0.52) KDM4EALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL56013 0.75 RELA (0.52) KDM4EALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL2452480 0.72 APP (0.43) KDM4EMAPK1TDP1ALDH1A1GLA
SCHEMBL3353832 0.72 NQO2 (0.38) KDM4EALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL19665032 0.71 RELA (0.47) KDM4EALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL2093537 0.69 CYP1A2 (0.57) KDM4EMAPK1TDP1
SCHEMBL14310764 0.68 NCF1 (0.48) CHRNB4CHRNA3CHRNA7NCF1KDM4E
SCHEMBL5548839 0.67 CHAT (0.48) CHRNB4CHRNA3CHRNA7
SCHEMBL5548826 0.67 CHAT (0.48) CHRNB4CHRNA3CHRNA7
SCHEMBL5551492 0.66 CHAT (0.50) CHRNB4CHRNA3CHRNA7KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107573928-B Solid-state up-conversion luminescent material based on triplet-triplet annihilation and preparation method thereof 中国科学院理化技术研究所 2019-10-22 — — CN disclosed
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