SCHEMBL19645264

SCHEMBL19645264

O=C(O)Oc1ccc(C(=O)NCCO)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.62
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 1/20 0.47
MMP2 P08253 1/20 0.47
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL620074 0.83 POLB (0.66) MMP13SPHK2SPHK1KMT2APOLB
SCHEMBL12414159 0.82 MMP13 (0.61) MMP13NPC1RAB9ASMN1; SMN2SPHK2
SCHEMBL19835597 0.81 MMP13 (0.74) MMP13NPC1RAB9ASMN1; SMN2SPHK2
SCHEMBL15459742 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL6024439 0.81 NPC1 (0.75) MMP13NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL23471096 0.80 POLB (0.58) MMP13SMN1; SMN2SPHK2SPHK1POLB
SCHEMBL1246967 0.79 LMNA (0.61) NPC1RAB9ASMN1; SMN2SPHK2SPHK1
SCHEMBL305562 0.77 GAA (0.65) NPC1RAB9ASMN1; SMN2SPHK2SPHK1
SCHEMBL19835594 0.77 TRPV1 (0.64) MMP13
SCHEMBL7296744 0.76 SPHK2 (0.80) NPC1RAB9ASMN1; SMN2SPHK2SPHK1

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
US-9827326-B2 Polymer-sunitinib conjugates NEKTAR THERAPEUTICS (US) 2017-11-28 US disclosed