SCHEMBL8086739

SCHEMBL8086739

CC1CCCCN1C(CCCCCCCC(=O)O)(C(=O)O)N1CCCCC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
EPHX1 P07099 1/20 0.34
TSHR P16473 4/20 0.33
KDM5A P29375 3/20 0.33
PHF8 Q9UPP1 3/20 0.33
KDM2A Q9Y2K7 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
KDM4A O75164 1/20 0.33
TBXAS1 P24557 1/20 0.33
SCD O00767 1/20 0.33
PPARG P37231 4/20 0.33
PPARD Q03181 4/20 0.33

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
SCHEMBL2239409 0.83 MAPT (0.32)
SCHEMBL1908068 0.74 CYP1A2 (0.46) CYP1A2MAPK1SMN1; SMN2TSHRLMNA
SCHEMBL27778773 0.72 HRH3 (0.54) HRH3CYP1A2MAPK1SMN1; SMN2TSHR
SCHEMBL11626844 0.70 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2TSHR
SCHEMBL561947 0.70 TSHR (0.36) TSHRLMNANFKB1PMP22TBXAS1
SCHEMBL27905837 0.69 TSHR (0.52) EPHX1TSHRLMNANFKB1PMP22
SCHEMBL6253569 0.69 ITGB3 (0.33) ITGB3ITGA2BTSHRLMNANFKB1
SCHEMBL30368493 0.69 NAAA (0.39) HRH3CYP1A2MAPK1SMN1; SMN2EPHX1
SCHEMBL1855290 0.68 HRH3 (0.57) HRH3CYP1A2MAPK1SMN1; SMN2TSHR
SCHEMBL1865632 0.68 HRH3 (0.57) HRH3CYP1A2MAPK1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520568-B1 Thermostable ethylene-carbon monoxide copolymer DSM NV (NL) 2000-11-22 EP disclosed
US-5286785-A Heat resistance DSM N.V. (NL) 1994-02-15 US disclosed
EP-0520568-A2 Thermostable ethylene-carbon monoxide copolymer DSM N.V. (NL) 1992-12-30 EP disclosed