SCHEMBL9201637

SCHEMBL9201637

COc1ccc(COC(=O)N(Cc2ccccc2)C(=O)[C@@H]2CC(O)CN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
CHRM5 P08912 1/20 0.42
ACHE P22303 1/20 0.41
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
TSHR P16473 1/20 0.40
CHRM2 P08172 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL11336186 0.78 FABP7 (0.46) FABP7FABP5MMP2MMP9MMP12
SCHEMBL24933203 0.73 MEN1 (0.46) SMN1; SMN2
SCHEMBL22519562 0.73 MEN1 (0.46) SMN1; SMN2
SCHEMBL9825628 0.73 TGM2 (0.40) TSHRLMNASMN1; SMN2
SCHEMBL13363847 0.73 KMT2A (0.48) TSHRTDP1LMNA
SCHEMBL21961574 0.73 TSHR (0.51) FABP7FABP5TSHRTDP1MAPK1
SCHEMBL23485377 0.73 TSHR (0.51) FABP7FABP5TSHRTDP1MAPK1
SCHEMBL8189090 0.73 KMT2A (0.48) TSHRTDP1LMNA
SCHEMBL10137745 0.73 TSHR (0.51) FABP7FABP5TSHRTDP1MAPK1
SCHEMBL1077276 0.73 TSHR (0.51) FABP7FABP5TSHRTDP1MAPK1

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-0126587-B1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMA (JP) 1995-04-19 EP disclosed