SCHEMBL7036076

SCHEMBL7036076

CC(C)(CO)NC(=O)C(C)(C)CCl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 10/20 0.33
CNR2 P34972 10/20 0.33
ATM Q13315 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 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
SCHEMBL27097050 0.80 RIPK1 (0.39) LMNAPOLBCNR1CNR2
SCHEMBL16407995 0.77 POLB (0.37) POLBL3MBTL1CNR1CNR2ATM
SCHEMBL29261236 0.75 POLB (0.40) LMNAPOLBKMT2AMEN1ALDH1A1
SCHEMBL6852859 0.74 HTT (0.44) HTTLMNAPOLBKMT2AMEN1
SCHEMBL27082329 0.73 CA2 (0.40) POLBKMT2AMEN1ALDH1A1CNR1
SCHEMBL4173669 0.73 POLB (0.35) POLBCNR1CNR2ATMNPC1
SCHEMBL6578326 0.72
SCHEMBL6519888 0.72
SCHEMBL291139 0.71 CNR1 (0.36) POLBALDH1A1CNR1CNR2ATM
SCHEMBL25118452 0.71 MAPT (0.43) KMT2AMEN1MAPTL3MBTL1CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476455-A1 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-11-17 EP disclosed
WO-2003070739-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-08-28 WO disclosed
US-6596798-B1 method for forming a functionalized polymer comprising the steps of providing a living lithium polymer; and terminating the living lithium polymer with an oxazoline compound according to the following formula (I): BRIDGESTONE CORPORATION (JP) 2003-07-22 US disclosed
US-20030125477-A1 Preparation of low hysteresis rubber by reacting a lithium polymer with oxazoline compounds BRIDGESTONE CORPORATION (JP) 2003-07-03 US disclosed