SCHEMBL8185037

SCHEMBL8185037

C=CC(=O)N[C@@H](CCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TGM2 P21980 5/20 0.43
FPR2 P25090 1/20 0.43
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
NOD1 Q9Y239 1/20 0.40
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MME P08473 1/20 0.39
ZDHHC20 Q5W0Z9 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
SCHEMBL28421 1.00 TSHR (0.47) TSHRTGM2FPR2FNTAFNTB
SCHEMBL1562504 0.89 TGM2 (0.50) TSHRTGM2NOD1HDAC2MME
SCHEMBL8186011 0.89 TGM2 (0.50) TSHRTGM2NOD1HDAC2MME
SCHEMBL8847213 0.87 TGM2 (0.52) TSHRTGM2NOD1HDAC2ZDHHC20
SCHEMBL10935228 0.86 NOD1 (0.54) TGM2NOD1ZDHHC20ZDHHC2FOLH1
SCHEMBL32679869 0.86 NOD1 (0.54) TGM2NOD1ZDHHC20ZDHHC2FOLH1
SCHEMBL28799295 0.86 NOD1 (0.54) TGM2NOD1ZDHHC20ZDHHC2FOLH1
SCHEMBL138376 0.86 NOD1 (0.54) TGM2NOD1ZDHHC20ZDHHC2FOLH1
SCHEMBL16162466 0.86 NOD1 (0.54) TGM2NOD1ZDHHC20ZDHHC2FOLH1
SCHEMBL27868025 0.86 NOD1 (0.54) TGM2NOD1ZDHHC20ZDHHC2FOLH1

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-6046289-A FOR INHIBITING COAGULATION OF BLOOD PLATELETS, INHIBITING ADHESION OF ANIMAL CELLS, OR AS SUBSTRATE FOR CULTURING ANIMAL CELLS FUJIFILM CORPORATION (JP) 2000-04-04 US disclosed
EP-0488258-B1 Propenamide derivatives, polymers, copolymers and use thereof FUJI PHOTO FILM CO LTD (JP) 1996-04-17 EP disclosed
EP-0488258-A2 Propenamide derivatives, polymers, copolymers and use thereof FUJI PHOTO FILM CO., LTD. (JP) 1992-06-03 EP disclosed