SCHEMBL5607802

SCHEMBL5607802

COC(=O)C1=C(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.44
SLC6A2 P23975 8/20 0.44
SLC6A4 P31645 1/20 0.44
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9561660 0.91 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL2371417 0.91 SLC6A3 (0.54) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL11755378 0.89 NPSR1 (0.46) SLC6A3SLC6A2SLC6A4TSHRNPSR1
SCHEMBL5607056 0.89 NPSR1 (0.46) SLC6A3SLC6A2SLC6A4TSHRNPSR1
SCHEMBL11755388 0.89 NPSR1 (0.46) SLC6A3SLC6A2SLC6A4TSHRNPSR1
SCHEMBL2131145 0.79 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL8636289 0.79 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4NPSR1ACHE
SCHEMBL11755806 0.78 NPSR1 (0.37) SLC6A3SLC6A2SLC6A4TSHRNPSR1
Acrylic Acid Ethyl Ester SCHEMBL10629245 0.78 TSHR (0.38) SLC6A3SLC6A2SLC6A4TSHRACHE
SCHEMBL10773952 0.78 ALDH1A1 (0.62) SLC6A3SLC6A2SLC6A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105984-A1 Composition comprising cellulose and polyvinyl chloride polymer E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-10 US disclosed
US-4418117-A ACRYLIC ACID-ETHYLENE COPOLYMER AND QUATERNARY AMMONIUM SALT ALLIED PAPER INCORPORATED (US) 1983-11-29 US disclosed
US-4400440-A CROSSLING WITH AMMONIUM ZIRCONYL COMPLEX, NON-STICKING LAYERS ALLIED PAPER INCORPORATED (US) 1983-08-23 US disclosed
US-4379822-A Conductive barrier coat for electrostatic masters ALLIED PAPER, INCORPORATED (US) 1983-04-12 US disclosed