SCHEMBL3860264

SCHEMBL3860264

NC(=O)OCCC(O)c1cccc(C#CC2(O)CCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAP3K14 Q99558 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL237218 0.84 GRM5 (0.38) GRM5ALDH1A1POLBNPC1RAB9A
SCHEMBL234994 0.83 MAP3K14 (0.37) GRM5MEN1ALDH1A1LMNAPOLB
SCHEMBL235267 0.80 MAP3K14 (0.39) GRM5MEN1ALDH1A1LMNAPOLB
SCHEMBL13559261 0.80 MAP3K14 (0.39) GRM5MEN1ALDH1A1LMNAPOLB
SCHEMBL233593 0.79 POLB (0.39) MEN1ALDH1A1LMNAPOLBMAPT
SCHEMBL235310 0.79 POLB (0.39) MEN1ALDH1A1LMNAPOLBMAPT
SCHEMBL234761 0.79 POLB (0.39) MEN1ALDH1A1LMNAPOLBMAPT
SCHEMBL3837462 0.79 GRM5 (0.40) GRM5MEN1ALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL28053019 0.78 GRM5 (0.39) GRM5MEN1ALDH1A1LMNAPOLB
SCHEMBL2151065 0.77 POLB (0.38) GRM5MEN1ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed