SCHEMBL7036071

SCHEMBL7036071

CC(C)(CCl)C(=O)NCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
HTT P42858 3/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.31
RIPK1 Q13546 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
EPHX1 P07099 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
SCHEMBL7031804 0.84 HTT (0.40) CNR1HTTLMNAALDH1A1MEN1
SCHEMBL12565693 0.82 CNR1 (0.46) CNR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2994316 0.81 FAAH (0.43) CNR1HTTLMNAALDH1A1MEN1
SCHEMBL9923566 0.80 CNR1 (0.49) CNR1LMNAALDH1A1MEN1KMT2A
SCHEMBL2871996 0.78 CNR1 (0.44) CNR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12180236 0.78 CNR1 (0.44) CNR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15001319 0.78 CNR1 (0.44) CNR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL22926644 0.78 CNR1 (0.44) CNR1HTTALDH1A1MEN1KMT2A
SCHEMBL17447490 0.77 CNR1 (0.58) CNR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL19169785 0.77 CNR1 (0.50) CNR1ALDH1A1MEN1KMT2AMAPT

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
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 claimed
US-20030125477-A1 Preparation of low hysteresis rubber by reacting a lithium polymer with oxazoline compounds BRIDGESTONE CORPORATION (JP) 2003-07-03 US claimed
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