SCHEMBL15955451

SCHEMBL15955451

C=CCN(CCO)CC(=C)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9604430 0.84 MEN1 (0.32) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10368806 0.84 KDM4E (0.32) KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11444043 0.81 OPRM1 (0.32) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11321722 0.81 KDM4E (0.41) KDM4ESMN1; SMN2
SCHEMBL170617 0.81 OPRM1 (0.38) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL147493 0.81 TSHR (0.37) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL89280 0.81 TDP1 (0.46) KDM4EMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL11042426 0.79 KDM4E (0.35) KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7722967 0.79 OPRK1 (0.36) KDM4EMEN1KMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL4662387 0.79 OPRM1 (0.37) KDM4EMEN1KMT2ASMN1; 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-20140235518-A1 AQUEOUS LIQUIDS CONTAINING AN ORGANIC COMPOUND AND AN N-(2-HYDROXYALKYL) SUBSTITUTED N-ALKYLAMINE TAMINCO (BE) 2014-08-21 US disclosed