SCHEMBL3236193

SCHEMBL3236193

COc1ccc(Cn2cc(OC(=O)O)c(=O)c3ccccc32)cc1F

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.53
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46

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
SCHEMBL3237092 0.89 GAA (0.50) TP53LMNAPOLBSMN1; SMN2MAPT
SCHEMBL3236188 0.88 CHRM1 (0.69) CHRM1TP53LMNA
SCHEMBL3235484 0.87 CHRM1 (0.52) CHRM1LMNASMN1; SMN2
SCHEMBL2491002 0.81 CHRM1 (0.71) CHRM1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL3241260 0.81 TP53 (0.68) CHRM1TP53LMNAPOLBSMN1; SMN2
SCHEMBL3240976 0.80 CHRM1 (0.56) CHRM1LMNASMN1; SMN2
SCHEMBL3237179 0.80 LMNA (0.59) CHRM1TP53LMNA
SCHEMBL2490511 0.80 LMNA (0.59) CHRM1TP53LMNA
SCHEMBL3234156 0.80 LMNA (0.62) CHRM1TP53LMNA
SCHEMBL3241379 0.79 CHRM1 (0.47) CHRM1TP53LMNAMAPT

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-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed