SCHEMBL6444302

SCHEMBL6444302

CCN1CCCC1CCCl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
TSHR P16473 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR4 O95977 1/20 0.38
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIM1 P11309 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL6443709 0.94 ALDH1A1 (0.40) ALDH1A1L3MBTL1HTTSIGMAR1TSHR
SCHEMBL11200677 0.88 ALDH1A1 (0.42) ALDH1A1L3MBTL1HTTSIGMAR1TSHR
SCHEMBL12064295 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTSIGMAR1TSHR
SCHEMBL12064296 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTSIGMAR1TSHR
SCHEMBL10181568 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTSIGMAR1TSHR
SCHEMBL3119460 0.80 S1PR1 (0.46) TSHRS1PR1S1PR3S1PR5S1PR4
SCHEMBL5776683 0.80
Hydrochloric Acid SCHEMBL30330329 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1HTTSIGMAR1TSHR
Fluoride SCHEMBL30331161 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1HTTSIGMAR1TSHR
SCHEMBL154109 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858679-B2 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION (US) 2005-02-22 US disclosed
US-20030153693-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions QUIRK RODERIC PAUL (US) 2003-08-14 US disclosed
US-6605564-B1 Anionic polymerization initiators and salt additives selected from sodium chloride, sodium iodide, potassium chloride, potassium t-butoxide, for increasing the efficiency of reactions between living polymer anions and electrophiles FMC CORPORATION 2003-08-12 US disclosed
US-6545103-B2 Living polymers FMC CORPORATION 2003-04-08 US disclosed
US-20020010082-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION 2002-01-24 US disclosed
US-6184338-B1 USEFUL IN THE PREPARATION OF TERTIARY AMINE CONTAINING POLYMERS, INCLUDING LINEAR, HOMOTELECHELIC, HETEROTELECHELIC AND RADIAL POLYMERS. FMC CORPORATION 2001-02-06 US disclosed
US-4594428-A Pyrrolidine compounds SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1986-06-10 US disclosed
EP-0024960-B1 SUBSTITUTED HETEROCYCLIC PHENOXY AMINES, THEIR PREPARATION METHOD AND THEIR USE AS LOCAL ANAESTHETICS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1984-12-12 EP disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 US disclosed
US-4379161-A Novel substituted heterocyclic phenoxyamines, the method of preparation thereof and the use thereof as local anaesthetics SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE DE FRANCE (FR) 1983-04-05 US disclosed
EP-0024960-A2 Substituted heterocyclic phenoxy amines, their preparation method and their use as local anaesthetics SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-11 EP disclosed