SCHEMBL5872599

SCHEMBL5872599

CCCCCCCCCCCCC#CC#CCCCCCCCC(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.47
PTPN7 P35236 4/20 0.47
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
SELP P16109 1/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL18796795 1.00 HMGCR (0.47) HMGCRPTPN7ALDH1A1PKMSELP
SCHEMBL18796730 0.90 HMGCR (0.47) HMGCRPTPN7ALDH1A1PKMSELP
SCHEMBL7259685 0.89 ALDH1A1 (0.47) ALDH1A1PKMGPR84FFAR1
SCHEMBL5698006 0.89 ALDH1A1 (0.47) ALDH1A1PKMGPR84FFAR1
SCHEMBL5698002 0.89 ALDH1A1 (0.47) ALDH1A1PKMGPR84FFAR1
SCHEMBL5697931 0.89 ALDH1A1 (0.47) ALDH1A1PKMGPR84FFAR1
SCHEMBL9410391 0.89 ALDH1A1 (0.47) ALDH1A1PKMGPR84FFAR1
SCHEMBL29001922 0.83 ALDH1A1 (0.50) ALDH1A1PKMGPR84FFAR1
SCHEMBL8614406 0.81 FAAH (0.47) PTPN7FFAR1
SCHEMBL8614400 0.81 FAAH (0.47) PTPN7FFAR1

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-7141437-B2 Solid-state colorimetric biosensors comprised of dendritic polymer networks MICHIGAN MOLECULAR INSTITUTE (US) 2006-11-28 US disclosed
US-20050106572-A1 star polymers comprising polyamidoamine having reactive end-groups, used for quantitative analysis MICHIGAN MOLECULAR INSTITUTE 2005-05-19 US disclosed