SCHEMBL11892878

SCHEMBL11892878

CC(C)(C)OC(=O)NCC(=O)NCc1cccc(-c2ccc(N3CCOCC3)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.49
▸ AOC3 Q16853 6/20 0.48
▸ CNR2 P34972 5/20 0.48
▸ AKT1 P31749 1/20 0.45
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ ERN1 O75460 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL11892904 0.88 AOC3 (0.52) SRCAOC3AKT1
SCHEMBL11358634 0.85 AOC3 (0.58) AOC3CNR2
SCHEMBL16784888 0.83 AOC3 (0.59) SRCAOC3
SCHEMBL11892906 0.83 AOC3 (0.59) SRCAOC3
SCHEMBL16785090 0.81 AOC3 (0.56) SRCAOC3AKT1
SCHEMBL11892877 0.81 WNT3A (0.39) WNT3AFGFR3KDR
SCHEMBL11421557 0.79 CYP3A4 (0.44) SRCAOC3
SCHEMBL26993968 0.79 HDAC1 (0.41) SRCAOC3
SCHEMBL31755274 0.79 HDAC1 (0.41) SRCAOC3
SCHEMBL11892926 0.78 ACACB (0.46) —

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-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 — — EP disclosed
Send feedback