SCHEMBL9752314

SCHEMBL9752314

C=CC(=O)C(N)CN(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4354656 0.87 TSHR (0.33) ALDH1A1TSHR
SCHEMBL27943302 0.78
SCHEMBL28601448 0.74 PLA2G1B (0.38) PLA2G1BPLA2G2A
SCHEMBL31517169 0.74 SLC1A2 (0.45) PLA2G1BPLA2G2A
SCHEMBL4790077 0.74
Hydrochloric Acid SCHEMBL28511729 0.74
SCHEMBL4018266 0.69
SCHEMBL1633647 0.69
Acrylamide SCHEMBL5038532 0.69 ALDH1A1 (0.58) ALDH1A1TSHR
SCHEMBL6118792 0.69 GSR (0.44) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991000346-A1 POLYNUCLEOTIDE PHOSPHORYLASE IMMOBILIZED ON TRIS(HYDROXYMETHYL)METHYLACRYLAMIDE POLYMER BEADS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed