SCHEMBL12565656

SCHEMBL12565656

CN(CC(=O)OCCO)CC(=O)OCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MGLL Q99685 1/20 0.36
ACHE P22303 1/20 0.35
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
LTA4H P09960 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
DNM1 Q05193 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL17074149 0.86 TSHR (0.38) TSHRCA12CA1CA2CA9
SCHEMBL12752049 0.81 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL25917458 0.81 DNM1 (0.41) TSHRCA12CA1CA2CA9
SCHEMBL2804678 0.80 CA12 (0.41) TSHRCA12CA1CA2CA9
SCHEMBL2804675 0.79 CA12 (0.40) TSHRCA12CA1CA2CA9
Trimethylammonium SCHEMBL27909146 0.76 CHRM5 (0.39) TSHRMGLLACHECHRNB2CHRNA4
SCHEMBL5852283 0.76 KDM4E (0.45) TSHRCA12CA1CA2CA9
SCHEMBL21512457 0.76 KDM4E (0.45) TSHRCA12CA1CA2CA9
SCHEMBL21512448 0.76 KMT2A (0.52) TSHRMGLLCHRNB2CHRNA4LTA4H
SCHEMBL12589581 0.75 CA12 (0.59) CA12CA1CA2CA9LTA4H

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
US-20110146516-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-06-23 US disclosed
US-20110017084-A1 IMMERSION TYPE AUTOMATIC DEVELOPING APPARATUS FOR LITHOGRAPHIC PRINTING PLATE AND AUTOMATIC DEVELOPING METHOD FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20110020757-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed