SCHEMBL7770772

SCHEMBL7770772

CCOCCNc1ccccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
GAA P10253 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
GBA1 P04062 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL881553 0.91 CHRM2 (0.62) CHRM2GAAALDH1A1MAPTRAB9A
SCHEMBL7733714 0.85 MAPT (0.45) CHRM2ALDH1A1MAPTRAB9ANPC1
SCHEMBL7771127 0.84 CHRM2 (0.62) CHRM2GAAALDH1A1MAPTRAB9A
SCHEMBL1644001 0.82 CHRM2 (0.64) CHRM2GAAALDH1A1MAPTRAB9A
SCHEMBL6173269 0.79 CHRM2 (0.70) CHRM2GAAALDH1A1MAPTRAB9A
SCHEMBL10408248 0.79 MAPT (0.64) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL7772573 0.78 CHRM2 (0.55) CHRM2ALDH1A1MAPTRAB9ANPC1
SCHEMBL30994802 0.77 CHRM2 (0.58) CHRM2GAAALDH1A1MAPTRAB9A
SCHEMBL1022424 0.77 CHRM2 (0.58) CHRM2GAAALDH1A1MAPTRAB9A
SCHEMBL11496106 0.77 CHRM2 (0.73) CHRM2GBA1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990643-B1 Luminescence indicator for determining calcium ions AVL MEDICAL INSTR (CH) 2001-07-25 EP disclosed
US-6171866-B1 N-SUBSTITUTED IMINODIACETIC ACID DERIVATIVES AVL MEDICAL INSTRUMENTS (CH) 2001-01-09 US disclosed
EP-0990643-A1 Luminescence indicator for determining calcium ions AVL Medical Instruments (CH) 2000-04-05 EP disclosed