SCHEMBL452903

SCHEMBL452903

CCCN(O)C(O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 2/20 0.32
TSHR P16473 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
SCHEMBL456030 0.86 GPR84 (0.42) GPR84FFAR1CA2CA12CA9
SCHEMBL9791190 0.83 GPR84 (0.48) TDP1GPR84FFAR1TSHRMAPT
SCHEMBL453464 0.80
SCHEMBL4913156 0.80
SCHEMBL9685476 0.78 TP53 (0.35) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL9326108 0.71 FDPS (0.38) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL9363130 0.69
SCHEMBL1286830 0.69 CYP1A2 (0.42) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL2639593 0.69 CYP1A2 (0.42) HDAC1HDAC2CHRM1AKR1A1CHRM3
Lactic Acid SCHEMBL21145132 0.68 TP53 (0.55) HDAC1HDAC2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126178-B2 Heat-expandable microspheres and a method of making heat-expandable microspheres and application thereof MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2015-09-08 US disclosed
EP-2529830-A2 Heat-expandable microspheres and a method of making heat-expandable microspheres and application thereof MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2012-12-05 EP disclosed
EP-2441814-A1 HEAT-EXPANDABLE MICROSPHERE, METHOD FOR PRODUCING SAME AND USE OF SAME Matsumoto Yushi-Seiyaku Co., Ltd. (JP) 2012-04-18 EP disclosed
US-20120064347-A1 HEAT-EXPANDABLE MICROSPHERES AND A METHOD OF MAKING HEAT-EXPANDABLE MICROSPHERES AND APPLICATION THEREOF MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2012-03-15 US disclosed