SCHEMBL20830596

SCHEMBL20830596

CCCCCCN(CCC)CCOCCO

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
THRB P10828 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
HSD17B10 Q99714 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36

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
SCHEMBL22920292 0.96 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1791354 0.96 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL3281620 0.96 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL18804731 0.96 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2740837 0.96 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL15450134 0.94 MEN1 (0.64) MEN1KMT2ATHRBHTTMAPT
SCHEMBL13538737 0.94 MEN1 (0.64) MEN1KMT2ATHRBHTTMAPT
SCHEMBL14783340 0.94 MEN1 (0.64) MEN1KMT2ATHRBHTTMAPT
SCHEMBL12970242 0.94 MEN1 (0.64) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2740831 0.94 MEN1 (0.64) MEN1KMT2ATHRBHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019055401-A1 POLYURETHANE INSULATION FOAM COMPOSITION COMPRISING HALOGENATED OLEFINS HUNTSMAN INTERNATIONAL LLC (US) 2019-03-21 WO disclosed