SCHEMBL4246676

SCHEMBL4246676

CNC(C)OCC(O)CO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 2/20 0.32
AGTR1 P30556 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL764019 0.75
SCHEMBL1487123 0.75
SCHEMBL5027030 0.75
SCHEMBL7624990 0.75
SCHEMBL4440314 0.73 LMNA (0.40) USP2LMNAALDH1A1TDP1CYP1A2
Isopropyl Alcohol SCHEMBL8330958 0.73 SMN1; SMN2 (0.41) USP2LMNAALDH1A1TDP1CYP1A2
SCHEMBL7295779 0.72
SCHEMBL23630292 0.71 LMNA (0.38) USP2LMNAALDH1A1TDP1CYP1A2
SCHEMBL16093255 0.71 LMNA (0.38) USP2LMNAALDH1A1TDP1CYP1A2
SCHEMBL8533077 0.71 LMNA (0.38) USP2LMNAALDH1A1TDP1CYP1A2

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-20090170808-A1 ORAL AGENT FOR IMPROVING AND PROTECTING THE FUNCTION OF JOINT COMPRISING HYALURONIC ACID-PHOSPHOLIPID COMPLEXES LING, PEIXUE (CN) 2009-07-02 US claimed
US-20090170808-A1 ORAL AGENT FOR IMPROVING AND PROTECTING THE FUNCTION OF JOINT COMPRISING HYALURONIC ACID-PHOSPHOLIPID COMPLEXES LING, PEIXUE (CN) 2009-07-02 US disclosed