SCHEMBL9748896

SCHEMBL9748896

C=C(C)C(=O)OCCN(CCN(C)C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA4 P43681 1/20 0.38
BCHE P06276 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
DNM1 Q05193 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL5360846 0.92 THRB (0.48) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL9324299 0.85 THRB (0.43) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9747740 0.84 THRB (0.44) THRBTSHRCHRM2CHRM4CHRM5
Succinic Acid SCHEMBL27992782 0.84 THRB (0.42) THRBTSHRALDH1A1TDP1POLB
SCHEMBL25435705 0.83 THRB (0.47) THRBTSHRCHRM2CHRM4CHRM5
Methylamine SCHEMBL29221186 0.83 CHRM2 (0.50) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL19951567 0.83 THRB (0.41) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28671752 0.82 CHRM2 (0.54) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL14984 0.82 CHRM2 (0.54) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL28478711 0.81 THRB (0.48) THRBTSHRCHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199306-B1 WASH-OFF FILM CONTAINING SYNTHETIC AMPHOTERIC POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-11 EP claimed
US-4735887-A ACRYLIC MONOMERS COMPRISING A CARBOXYLIC ACID, PRIM-AMINOALKYL ACRYLATE AND SEC OR TERT-AMINOALKYL ACRYLATE; GELATIN REPLACEMENT IN PHOTOGRAPHIC LAYERS; RESOLUTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-05 US claimed
EP-0199306-A2 Wash-off film containing synthetic amphoteric polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-10-29 EP claimed
EP-0199306-B1 WASH-OFF FILM CONTAINING SYNTHETIC AMPHOTERIC POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-11 EP disclosed
US-4735887-A ACRYLIC MONOMERS COMPRISING A CARBOXYLIC ACID, PRIM-AMINOALKYL ACRYLATE AND SEC OR TERT-AMINOALKYL ACRYLATE; GELATIN REPLACEMENT IN PHOTOGRAPHIC LAYERS; RESOLUTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-05 US disclosed
EP-0199306-A2 Wash-off film containing synthetic amphoteric polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-10-29 EP disclosed