SCHEMBL7281120

SCHEMBL7281120

CC(C)C[C@H](C(=O)OC(C)(C)C)C(O)C(O)C(N)SC(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL27391716 0.78 NOS1 (0.37) NOS1NOS3NOS2POLBNPSR1
SCHEMBL19428157 0.76 NOS1 (0.38) NOS1NOS3NOS2POLBNPSR1
SCHEMBL25687930 0.72 CA1 (0.42) NOS1NOS3NOS2POLBNPSR1
SCHEMBL7280643 0.71 PREP (0.33)
Hydrochloric Acid SCHEMBL953366 0.71 SLC7A5 (0.48) NOS1NOS3NOS2POLBNPSR1
Hydrochloric Acid SCHEMBL8319401 0.71 SLC7A5 (0.48) NOS1NOS3NOS2POLBNPSR1
Hydrochloric Acid SCHEMBL3937498 0.71 SLC7A5 (0.48) NOS1NOS3NOS2POLBNPSR1
Hydrochloric Acid SCHEMBL953367 0.71 SLC7A5 (0.48) NOS1NOS3NOS2POLBNPSR1
SCHEMBL7295011 0.70 ANPEP (0.46) NOS1NOS3NOS2POLBNPSR1
SCHEMBL7762836 0.70 CTSL (0.39) POLBNPSR1TDP1

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-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed