SCHEMBL14065210

SCHEMBL14065210

CCCOC(=O)CC[N+](C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.68
▸ ADRA1A P35348 1/20 0.68
▸ MAPT P10636 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ CYP2C19 P33261 2/20 0.52
▸ CHRM5 P08912 6/20 0.50
▸ CHRM1 P11229 6/20 0.50
▸ CHRM3 P20309 6/20 0.50
▸ CHRM2 P08172 5/20 0.50
▸ CHRM4 P08173 5/20 0.50
▸ CHRNB2 P17787 4/20 0.50
▸ CHRNA4 P43681 4/20 0.50
▸ CHRNA7 P36544 3/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PGR P06401 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50

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
SCHEMBL290052 0.84 ADRA2A (0.78) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL30511986 0.83 ADRA2A (0.75) ADRA2AADRA1AMAPTBLMCYP2C19
Bromide SCHEMBL8614700 0.83 ADRA2A (0.75) ADRA2AADRA1AMAPTBLMCYP2C19
Water SCHEMBL15994023 0.83 ADRA2A (0.75) ADRA2AADRA1AMAPTBLMCYP2C19
Iodide SCHEMBL1157377 0.83 ADRA2A (0.75) ADRA2AADRA1AMAPTBLMCYP2C19
Hydrochloric Acid SCHEMBL19025642 0.83 ADRA2A (0.75) ADRA2AADRA1AMAPTBLMCYP2C19
Fluoride Ion SCHEMBL15993972 0.83 ADRA2A (0.75) ADRA2AADRA1AMAPTBLMCYP2C19
Hydrochloric Acid SCHEMBL316716 0.83 MAPT (0.79) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL10256716 0.82 ADRA2A (0.60) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL889281 0.82 ADRA2A (0.50) ADRA2AADRA1AMAPTBLMCYP2C19

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
US-7425409-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2008-09-16 — — US disclosed
US-20070148604-A1 Photothermographic material FUJIFILM CORPORATION 2007-06-28 — — US disclosed
US-20070082301-A1 Image forming method using photothermographic material FUJI PHOTO FILM CO., LTD. 2007-04-12 — — US disclosed
US-7166408-B2 Image forming method using photothermographic material FUJIFILM CORPORATION (JP) 2007-01-23 — — US disclosed
US-7157218-B2 Suppressed fogging and printout and is excellent in storage stability of an image against stain FUJIFILM CORPORATION (JP) 2007-01-02 — — US disclosed
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