SCHEMBL8948175

SCHEMBL8948175

CC(=O)C=CC1CCCOC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.30
PTPN1 P18031 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
SCHEMBL24435336 1.00 PTPN2 (0.30) PTPN2PTPN1
SCHEMBL1832001 0.89
SCHEMBL1832003 0.89
SCHEMBL29216976 0.83 HTT (0.32)
SCHEMBL29216979 0.83 HTT (0.32)
SCHEMBL20902940 0.81
SCHEMBL14862055 0.81 HCAR2 (0.39)
SCHEMBL14862053 0.81 HCAR2 (0.39)
SCHEMBL10615513 0.78
SCHEMBL10615509 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484949-A Method for the synthesis of α β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1996-01-16 US disclosed
US-5428174-A Reacting an aldehyde with acetoacetic acid in the presence of a primary amine BASF AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed
EP-0454867-B1 A METHOD FOR THE SYNTHESIS OF $g(a), $g(b)-UNSATURATED KETONES NIPPON SODA CO (JP) 1995-02-01 EP disclosed
EP-0454867-A1 A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. NIPPON SODA CO (JP) 1991-11-06 EP disclosed
WO-1991007370-A1 A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 WO disclosed