SCHEMBL27984680

SCHEMBL27984680

CCCCOC(=O)C(C(=O)OCC)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 2/20 0.33
EPHX2 P34913 4/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL27483500 0.96 ALDH1A1 (0.38) TSHRL3MBTL1ALDH1A1NPSR1ATM
SCHEMBL5146350 0.77 GAA (0.36) TSHRALDH1A1ATMEPHX2LMNA
SCHEMBL21295451 0.77 GAA (0.37) TSHRL3MBTL1ALDH1A1NPSR1ATM
SCHEMBL27628754 0.76 TSHR (0.59) TSHRL3MBTL1ALDH1A1NPSR1EPHX2
SCHEMBL27984682 0.73 LMNA (0.34) TSHRL3MBTL1ALDH1A1NPSR1ATM
SCHEMBL27483501 0.72 LMNA (0.33) L3MBTL1ALDH1A1ATMLMNAPOLB
SCHEMBL4278713 0.71 ALDH1A1 (0.37) TSHRL3MBTL1ALDH1A1ATMEPHX2
SCHEMBL27975741 0.71 TSHR (0.41) TSHRL3MBTL1ALDH1A1NPSR1ATM
SCHEMBL28139901 0.71 ALDH1A1 (0.34) TSHRALDH1A1ATMLMNAPOLB
SCHEMBL6058467 0.71 TSHR (0.52) TSHRL3MBTL1ALDH1A1NPSR1ATM

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
CN-102282244-B Ashless lubricant composition VANDERBILT CHEMICALS, LLC (US) 2014-10-15 CN disclosed