SCHEMBL3981767

SCHEMBL3981767

CCN(NCC(=O)O)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.37
FFAR3 O14843 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH2 P05091 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9238520 0.78 FFAR3 (0.31) CTHFFAR3EGLN1
SCHEMBL11599646 0.78
SCHEMBL11686438 0.75 FFAR3 (0.40) CTHFFAR3EGLN1ALDH1A1CYP2D6
SCHEMBL13197731 0.70
SCHEMBL28030319 0.69
SCHEMBL27862408 0.69 TSHR (0.33) ALDH1A1TDP1
SCHEMBL8527819 0.68 TDP1 (0.33) CTHFFAR3EGLN1ALDH1A1CYP2D6
SCHEMBL10626513 0.65
Hydrochloric Acid SCHEMBL6645955 0.65
Sarcosine SCHEMBL29114513 0.64 CTH (0.37) CTHFFAR3EGLN1ALDH1A1CYP2D6

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
US-7501478-B2 Thermoprecipitating polymer containing enzyme specific ligands, process for the preparation thereof, and use thereof for the separation of enzymes COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-03-10 US disclosed
US-20050130867-A1 Thermoprecipitating polymer containing enzyme specific ligands, process for the preparation thereof, and use thereof for the separation of enzymes COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2005-06-16 US disclosed
US-6867268-B2 Thermoprecipitating polymer containing enzyme specific ligands, process for the preparation thereof, and use thereof for the separation of enzymes COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-03-15 US disclosed
US-6605714-B2 Thermoprecipitating polymers; for use in the separation of biopolymers COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-08-12 US disclosed
US-20030027959-A1 Thermoprecipitating polymer containing enzyme specific ligands, process for the preparation thereof, and use thereof for the separation of enzymes COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-02-06 US disclosed
US-20020098567-A1 Thermoprecipitating polymer containing enzyme specific ligands, process for the preparation thereof, and use thereof for the separation of enzymes COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2002-07-25 US disclosed