SCHEMBL4611780

SCHEMBL4611780

CC[N+](CC)(CC)c1cccc(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.68
TSHR P16473 3/20 0.68
OPRM1 P35372 1/20 0.68
BLM P54132 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 3/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
LMNA P02545 1/20 0.46
CA5A P35218 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
ENPP2 Q13822 1/20 0.39
CHRNB2 P17787 1/20 0.39

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
Iodide SCHEMBL9151128 0.98 ACHE (0.66) ACHETSHROPRM1BLMSMN1; SMN2
Bromide SCHEMBL30267654 0.82 ACHE (0.56) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL9351826 0.82 ACHE (0.56) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL8009388 0.81 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL29627074 0.81 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL34790 0.81 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL4611923 0.81 ACHE (0.71) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL2462104 0.79 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL34789 0.79 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL10893553 0.79 ACHE (0.96) ACHETSHROPRM1BLMSMN1; SMN2

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
EP-1053868-B1 Photosensitive composition and planographic printing plate base using same FUJIFILM CORP (JP) 2008-02-06 EP disclosed
EP-1872943-A2 Photosensitive composition and planographic printing plate base using same FUJIFILM Corporation (JP) 2008-01-02 EP disclosed
US-6602645-B1 Macromolecular compound having alkali soluble groups and metal phthalocyanine; high sensitivity; good developing latitude; storage stability; direct positive-type FUJI PHOTO FILM CO., LTD. (JP) 2003-08-05 US disclosed
EP-1053868-A2 Photosensitive composition and planographic printing plate base using same FUJI PHOTO FILM CO., LTD. (JP) 2000-11-22 EP disclosed
US-4134792-A Specific binding assay with an enzyme modulator as a labeling substance MILES LABORATORIES, INC. (US) 1979-01-16 US disclosed