SCHEMBL7653673

SCHEMBL7653673

C[C@@H](Oc1cc(CNC(=O)OC(C)(C)C)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(=O)O)c1c23)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.31
GRIN1 Q05586 1/20 0.31
EPHX2 P34913 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL7655440 0.90 ALDH1A1 (0.32)
SCHEMBL7550093 0.89 PPARD (0.33) ROCK2GRIN1L3MBTL1MAPTTDP1
Hydrochloric Acid SCHEMBL7655186 0.87 PTGDR2 (0.32) GRIN1MAPT
Hydrochloric Acid SCHEMBL7658632 0.87 PTGDR2 (0.32) GRIN1MAPT
SCHEMBL7548916 0.86 GRIN1 (0.32) ROCK2GRIN1L3MBTL1MAPT
SCHEMBL7548639 0.84 MTNR1A (0.32) ROCK2GRIN1L3MBTL1
SCHEMBL7547391 0.83 MAPT (0.33) L3MBTL1MAPTTDP1
SCHEMBL7549043 0.82 MTNR1A (0.33) ROCK2L3MBTL1MAPTTDP1
SCHEMBL7550462 0.81 MTNR1A (0.32) ROCK2L3MBTL1
SCHEMBL7549035 0.81 MTNR1A (0.36) L3MBTL1MAPTNPSR1TDP1

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-6495587-B1 TREATING A DAMAGE TO THE CENTRAL NERVOUS SYSTEM INDUCED BY AN ISCHEMIC OR HYPOXIC CONDITION AND STROKE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-12-17 US disclosed