SCHEMBL11513301

SCHEMBL11513301

NCCCN.O=C(O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SIGMAR1 Q99720 1/20 0.40
TSHR P16473 4/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39

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
SCHEMBL28072511 0.93 LMNA (0.48) LMNAPLGPLATCES2CES1
SCHEMBL23751424 0.88 LMNA (0.56) LMNAPLGPLATCES2CES1
Monoethanolamine SCHEMBL1836886 0.86 LMNA (0.50) LMNAPLGPLATCES2CES1
Propylamine SCHEMBL7719000 0.84 LMNA (0.48) LMNAPLGPLATCES2CES1
SCHEMBL12492077 0.83 CES2 (0.61) LMNAPLGPLATCES2CES1
SCHEMBL12491655 0.83 CES2 (0.61) LMNAPLGPLATCES2CES1
SCHEMBL5493736 0.83 CES2 (0.61) LMNAPLGPLATCES2CES1
SCHEMBL8365391 0.83 CES2 (0.61) LMNAPLGPLATCES2CES1
SCHEMBL242069 0.83 CES2 (0.61) LMNAPLGPLATCES2CES1
SCHEMBL25212375 0.83 CES2 (0.61) LMNAPLGPLATCES2CES1

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-4171424-A Polyesters containing units derived from metal salts of N-hydroxyalkylated branched α-aminoacids CIBA-GEIGY CORPORATION (US) 1979-10-16 US disclosed
US-4093639-A HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1978-06-06 US disclosed