SCHEMBL22471794

SCHEMBL22471794

CCCC1CCC(CN)(CN)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP2D6 P10635 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6380895 0.82 ALDH1A1 (0.53) CYP1A2CYP2C9ALDH1A1KMT2ALMNA
SCHEMBL9405284 0.76 CYP1A2 (0.36) CYP1A2NOS3NOS1NOS2CYP2C9
SCHEMBL5909494 0.75 CYP1A2 (0.46) CYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL5909495 0.75 CYP1A2 (0.46) CYP1A2CYP2C9ALDH1A1LMNA
Ethylamine SCHEMBL7195532 0.75
Hydrochloric Acid SCHEMBL5909536 0.74 CYP1A2 (0.45) CYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL25978557 0.74
SCHEMBL19012099 0.73 CYP1A2 (0.37) CYP1A2NOS3NOS1NOS2CYP2C9
SCHEMBL11643831 0.73 NCF1 (0.38) CYP2C9LMNA
SCHEMBL29273693 0.72 ADORA1 (0.30) CYP1A2

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
CN-108884245-B Polyimide film and method for producing same 柯尼卡美能达株式会社 2021-10-29 CN disclosed
CN-109843534-B Method for manufacturing optical film 柯尼卡美能达株式会社 2021-05-18 CN disclosed
CN-109843533-B Method for manufacturing optical film 柯尼卡美能达株式会社 2021-05-04 CN disclosed
WO-2020195819-A1 METHOD FOR MANUFACTURING OPTICAL FILM AND OPTICAL FILM コニカミノルタ株式会社 2020-10-01 WO disclosed
CN-111183194-A Polyimide varnish composition, method for producing same, and polyimide film 三菱瓦斯化学株式会社 2020-05-19 CN disclosed