SCHEMBL10698564

SCHEMBL10698564

O=C(O)[C@@H]1OC(=O)N1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NOTUM Q6P988 1/20 0.37
GRM2 Q14416 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 2/20 0.36
CASP6 P55212 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
FADS1 O60427 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL4578364 0.68 MAOA (0.36) MAOAGAAKDM4EALDH1A1TDP1
SCHEMBL24113001 0.68 MAOA (0.46) MAOAGAAGRM2SMN1; SMN2CYP1A2
SCHEMBL4303560 0.68 NOTUM (0.38) GAAKDM4EALDH1A1TDP1NOTUM
SCHEMBL27724536 0.68 MAOA (0.46) MAOAGAAGRM2SMN1; SMN2CYP1A2
SCHEMBL3534265 0.68 MAOA (0.36) MAOAGAAKDM4EALDH1A1TDP1
SCHEMBL4669702 0.67 GRM2 (0.54) GRM2SMN1; SMN2FADS1
SCHEMBL4670666 0.67 GRM2 (0.54) GRM2SMN1; SMN2FADS1
SCHEMBL2322579 0.67 GRM2 (0.54) GRM2SMN1; SMN2FADS1
SCHEMBL24794863 0.67 GRM5 (0.54) MAOAGRM2MEN1KMT2A
SCHEMBL10797528 0.66 MEN1 (0.44) GAAKDM4EALDH1A1TDP1POLB

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-0254578-A1 Antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-01-27 EP disclosed