SCHEMBL8545816

SCHEMBL8545816

COc1cc(C(=O)CC(C(N)=O)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
TNFRSF1A P19438 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNA1C Q13936 1/20 0.44

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
Hydrochloric Acid SCHEMBL8550542 0.99 ALDH1A1 (0.45) KMT2AALDH1A1MEN1LMNATSHR
SCHEMBL8812152 0.88 CA1 (0.45) KMT2AALDH1A1MEN1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL8812351 0.87 CA1 (0.44) KMT2AALDH1A1MEN1TSHRSMN1; SMN2
SCHEMBL11518684 0.87 ALDH1A1 (0.48) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL8813396 0.87 MEN1 (0.57) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL8545125 0.85 KMT2A (0.50) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL8812686 0.84 USP2 (0.52) ALDH1A1LMNATSHRKDM4E
Hydrochloric Acid SCHEMBL8543101 0.84 KMT2A (0.49) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL8814480 0.83 MAPT (0.55) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL8816107 0.83 L3MBTL1 (0.52) KMT2AALDH1A1MEN1LMNATSHR

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-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed