SCHEMBL11633908

SCHEMBL11633908

CCCCOC(=O)C(NC(=O)OC(C)(C)C)c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.48
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.46
CTSL P07711 4/20 0.46
CTSK P43235 2/20 0.46
CTSS P25774 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
P4HB P07237 2/20 0.44
GAA P10253 1/20 0.44
CCKBR P32239 1/20 0.44
SCN9A Q15858 1/20 0.43
SSTR3 P32745 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL11636711 0.82 CTSL (0.53) TACR1MAPTTP53CTSLCTSK
SCHEMBL30873796 0.82 CTSL (0.53) TACR1MAPTTP53CTSLCTSK
SCHEMBL11636318 0.80 CTSK (0.46) CTSKCTSSSMN1; SMN2
SCHEMBL11638523 0.79 CTSK (0.43) TACR1CTSKCTSSSMN1; SMN2
SCHEMBL11638583 0.79 CTSK (0.60) CTSKCTSSSMN1; SMN2POLB
SCHEMBL11638585 0.79 CTSK (0.60) CTSKCTSSSMN1; SMN2POLB
SCHEMBL28224619 0.77 GPR84 (0.50) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL11636897 0.76 CTSK (0.45) MAPTCTSKCTSSSMN1; SMN2MEN1
SCHEMBL27725523 0.76 MAPT (0.44) TACR1MAPTTP53CTSLCTSK
SCHEMBL5209782 0.75 SSTR3 (0.53) TACR1MAPTTP53CTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4108854-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1978-08-22 US disclosed
US-3997584-A Substituted glycines and intermediates thereof SMITHKLINE CORPORATION (US) 1976-12-14 US disclosed
US-3994954-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1976-11-30 US disclosed