SCHEMBL4126965

SCHEMBL4126965

CC(C)CCCCCCCOCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ADRB2 P07550 5/20 0.33
ADRB3 P13945 4/20 0.33
ADRB1 P08588 3/20 0.33
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8433087 0.88 KDM4E (0.46) KDM4ELMNAL3MBTL1TDP1
SCHEMBL15676409 0.88 KDM4E (0.46) KDM4ELMNAL3MBTL1TDP1
SCHEMBL8434931 0.85 USP2 (0.46) KDM4EADRB2ADRB3ADRB1USP2
SCHEMBL8431118 0.85 USP2 (0.46) KDM4EADRB2ADRB3ADRB1USP2
SCHEMBL8432671 0.85 USP2 (0.46) KDM4EADRB2ADRB3ADRB1USP2
SCHEMBL7886317 0.82 ALDH1A1 (0.35) KDM4EADRB2ADRB3ADRB1LMNA
SCHEMBL19119276 0.82 ALDH1A1 (0.35) KDM4EADRB2ADRB3ADRB1LMNA
Hydrochloric Acid SCHEMBL9302564 0.80 SMN1; SMN2 (0.34) KDM4EADRB2ADRB3ADRB1LMNA
SCHEMBL22837701 0.80 HRH4 (0.34) LMNAALDH1A1SMN1; SMN2
SCHEMBL21105838 0.78 LMNA (0.34) LMNAALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042749-A1 N,N-Dialkylpolyhydroxyalkylamines AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-02-12 US disclosed
US-20060100127-A1 N,N-dialkylpolyhydroxyalkylamines AIR PRODUCTS AND CHEMICALS, INC. 2006-05-11 US disclosed