SCHEMBL28008854

SCHEMBL28008854

CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.71
CYP2C19 P33261 1/20 0.71
EPHA2 P29317 2/20 0.70
AKR1B10 O60218 1/20 0.70
AKR1B1 P15121 1/20 0.70
EFNA1 P20827 1/20 0.70
PSEN1 P49768 1/20 0.70
PSEN2 P49810 1/20 0.70
GPBAR1 Q8TDU6 1/20 0.70
APH1B Q8WW43 1/20 0.70
NCSTN Q92542 1/20 0.70
APH1A Q96BI3 1/20 0.70
PSENEN Q9NZ42 1/20 0.70
MEN1 O00255 1/20 0.70
LMNA P02545 1/20 0.70
KMT2A Q03164 1/20 0.70
HSD17B10 Q99714 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
INPP5D Q92835 1/20 0.70
CDC25A P30304 5/20 0.61

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
SCHEMBL135273 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL288945 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL7126727 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL14676689 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL4739596 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL19866272 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL28898907 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
Water SCHEMBL27578106 0.99 CYP2D6 (0.70) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
Methane SCHEMBL27524872 0.99 CYP2D6 (0.70) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
Ethane SCHEMBL8333555 0.99 CYP2D6 (0.70) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104656311-B The manufacturing method of liquid crystal orientation film, substrate used for liquid crystal display element and its manufacturing method and liquid crystal display element JSR株式会社 2018-11-23 CN disclosed
CN-105086446-B Polymer composition, aligning agent for liquid crystal, liquid crystal orientation film, liquid crystal display element and its manufacturing method and polymer JSR株式会社 2018-08-24 CN disclosed
CN-104756002-B Aligning agent for liquid crystal, liquid crystal orientation film and its manufacturing method and liquid crystal display element JSR株式会社 2018-06-08 CN disclosed
CN-107203063-A Substrate for display device, the manufacture method of substrate for display device and display element JSR株式会社 2017-09-26 CN disclosed
CN-105086446-A Polymer composition, liquid crystal alignment agent, liquid crystal alignment film, liquid crystal display element, a manufacturing method of liquid crystal display element, and polymer JSR CORP 2015-11-25 CN disclosed
CN-104756002-A Liquid crystal orientation agent, liquid crystal orientation membrane and method for manufacturing same, and liquid crystal display element JSR CORP 2015-07-01 CN disclosed
CN-104656311-A Manufacturing method for liquid crystal alignment film, substrate for liquid crystal display device and manufacturing method thereof, and liquid crystal display device JSR CORP 2015-05-27 CN disclosed