SCHEMBL817433

SCHEMBL817433

COC(=O)C1=C(C(=O)OC)CCC(C)(C)C=C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.33
SLC6A2 P23975 9/20 0.33
SLC6A4 P31645 2/20 0.33
CYP3A4 P08684 1/20 0.31
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
SCHEMBL817914 0.79 SLC6A2 (0.36) SLC6A3SLC6A2
SCHEMBL819312 0.76 ALDH1A1 (0.39) SLC6A2
SCHEMBL818677 0.75 ALDH1A1 (0.41)
SCHEMBL9444531 0.73 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4
SCHEMBL818627 0.70 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL27542853 0.70 TSHR (0.32) SLC6A3SLC6A2SLC6A4
SCHEMBL818180 0.69 SLC6A3 (0.33) SLC6A3SLC6A2SLC6A4
SCHEMBL23364362 0.66 SMN1; SMN2 (0.38)
SCHEMBL15847157 0.66 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4CYP3A4
SCHEMBL11755378 0.65 NPSR1 (0.46) SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed