SCHEMBL8561940

SCHEMBL8561940

OCC#CCN(CCO)CCO

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8661196 0.91 MAPT (0.35) MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL20835285 0.77 MAPT (0.32) MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL8472078 0.76
SCHEMBL7704607 0.76 MAPT (0.35) MAPT
SCHEMBL8568039 0.75 KCNH2 (0.43)
SCHEMBL135037 0.72 CHRM1 (0.54) KDM4ESMN1; SMN2
SCHEMBL23528233 0.71 MAPT (0.46) MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL132520 0.71 MAPT (0.46) MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL9785641 0.71 MAPT (0.46) MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL2157617 0.71 MAPT (0.46) MAPTKDM4EALOX15SMN1; SMN2

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
US-5808160-A Preparation of hydroxy-alkyl-substituted aminoalkynes with heterogenous catalysis BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed