SCHEMBL2233475

SCHEMBL2233475

COc1ccc(OCOC(=O)NCCCCc2ccc(Cl)cc2)cc1.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ATM Q13315 1/20 0.55
GLA P06280 1/20 0.53
CNR1 P21554 1/20 0.51
FPR2 P25090 1/20 0.51
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.47
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MCOLN3 Q8TDD5 1/20 0.45

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
SCHEMBL638040 0.88 KMT2A (0.50) KMT2AATMGLACNR1FPR2
SCHEMBL17916743 0.79 RAB9A (0.69) KMT2AATMCNR1FPR2ALDH1A1
SCHEMBL16562164 0.75 RAB9A (0.67) KMT2AATMCNR1FPR2ALDH1A1
SCHEMBL3452433 0.74 POLB (0.68) POLBSMN1; SMN2
SCHEMBL10921668 0.74 GLA (0.59) KMT2AGLAALDH1A1POLBSMN1; SMN2
SCHEMBL16562203 0.74 CNR1 (0.63) KMT2AATMCNR1FPR2ALDH1A1
SCHEMBL16562011 0.73 CNR1 (0.85) CNR1FPR2SMN1; SMN2
SCHEMBL16562083 0.73 PTPN1 (0.78) KMT2AATMCNR1FPR2ALDH1A1
SCHEMBL637257 0.72 NPC1 (0.54) KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL10923330 0.72 GLA (0.59) KMT2AGLAALDH1A1POLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 EP disclosed