SCHEMBL8545362

SCHEMBL8545362

COc1cccc(C(=O)CN2CCC[C@@H]2C(=O)NC(=O)c2ccccc2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.46
CTSK P43235 3/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
DRD2 P14416 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8545354 1.00 SLC6A12 (0.46) SLC6A12CTSKALDH1A1SMN1; SMN2KMT2A
SCHEMBL8543361 0.92 ALDH1A1 (0.46) CTSKALDH1A1SMN1; SMN2
SCHEMBL8543367 0.92 ALDH1A1 (0.46) CTSKALDH1A1SMN1; SMN2
SCHEMBL8548300 0.92 NPC1 (0.48) CTSKALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8548308 0.92 NPC1 (0.48) CTSKALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8548457 0.88 CTSK (0.56) CTSKALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8548448 0.88 CTSK (0.56) CTSKALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8542677 0.86 CTSK (0.59) CTSKALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8542686 0.86 CTSK (0.59) CTSKALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8544339 0.86 ALDH1A1 (0.50) CTSKALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed