SCHEMBL10975596

SCHEMBL10975596

CCCCCCCCCCCCCCCCC(C#N)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
CYP2D6 P10635 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
MAPT P10636 2/20 0.45
GMNN O75496 1/20 0.45
POLB P06746 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CETP P11597 1/20 0.45
HTT P42858 1/20 0.45
UBE2N P61088 1/20 0.45
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL18923179 0.91
SCHEMBL28653199 0.91
SCHEMBL5408873 0.91
SCHEMBL15211724 0.85 TSHR (0.46) LMNASPHK1MAPTTSHRGPR84
SCHEMBL366647 0.85 TSHR (0.46) LMNASPHK1MAPTTSHRGPR84
SCHEMBL24044418 0.85 TSHR (0.46) LMNASPHK1MAPTTSHRGPR84
SCHEMBL985792 0.85 TSHR (0.46) LMNASPHK1MAPTTSHRGPR84
SCHEMBL12844942 0.85 TSHR (0.46) LMNASPHK1MAPTTSHRGPR84
SCHEMBL13601912 0.85 TSHR (0.46) LMNASPHK1MAPTTSHRGPR84
SCHEMBL4745188 0.85 TSHR (0.46) LMNASPHK1MAPTTSHRGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063944-A1 Polyhydric alcohols HENKEL CORPORATION (a Delaware corp.) (US) 1982-11-03 EP claimed
EP-0063944-B1 POLYHYDRIC ALCOHOLS HENKEL CORPORATION (a Delaware corp.) (US) 1985-07-10 EP disclosed
EP-0054430-B1 TERTIARY AMINO POLYOLS HENKEL CORPORATION (a Delaware corp.) (US) 1985-03-13 EP disclosed
EP-0063944-A1 Polyhydric alcohols HENKEL CORPORATION (a Delaware corp.) (US) 1982-11-03 EP disclosed
EP-0054430-A1 Tertiary amino polyols HENKEL CORPORATION (a Delaware corp.) (US) 1982-06-23 EP disclosed
US-4328371-A USEFUL IN THE PRODUCTION OF POLYURETHANES HENKEL CORPORATION (US) 1982-05-04 US disclosed