SCHEMBL20196310

SCHEMBL20196310

CC(C)(C)OC(=O)N1CCC[C@]1(C)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
CTSK P43235 1/20 0.38
FFAR1 O14842 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK3 P52333 2/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL15816925 0.87 GRIN2B (0.39) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL12424303 0.86 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL10202327 0.86 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL8950858 0.84 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL15425362 0.84 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL705582 0.84 GRIN2B (0.41) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL30838104 0.83 GRIN2B (0.43) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL6922182 0.83 GRIN2B (0.43) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL27092782 0.83 GRIN2B (0.40) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2
SCHEMBL17400611 0.83 GRIN2B (0.40) GRIN2BGRIN2CCTSKUSP2SMN1; SMN2

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-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 EP disclosed