SCHEMBL27639166

SCHEMBL27639166

CCC(=O)OCCn1ccc2cc(O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
GAA P10253 1/20 0.43
MCL1 Q07820 5/20 0.42
KDM4E B2RXH2 1/20 0.41
BCL2 P10415 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL26620578 0.86 MTNR1A (0.42) MTNR1AMTNR1BGAAMCL1KDM4E
SCHEMBL27620013 0.85 MTNR1A (0.45) MTNR1AMTNR1BGAAMCL1KDM4E
SCHEMBL4473320 0.81 TNF (0.53) MTNR1AMTNR1BGAAMCL1KDM4E
SCHEMBL27619992 0.80 MCL1 (0.55) MCL1BCL2
SCHEMBL21051475 0.80 GLO1 (0.50) MTNR1AMTNR1BGAAMCL1KDM4E
SCHEMBL4466329 0.79 TNF (0.60) GAAMCL1KDM4E
SCHEMBL4459699 0.78 TNF (0.56) MTNR1AMTNR1BGAAMCL1KDM4E
SCHEMBL30396580 0.78 F2 (0.45) GAAKDM4E
SCHEMBL6384442 0.78 MTNR1A (0.48) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL3689068 0.78 F2 (0.45) GAAKDM4E

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
CN-1751037-A Sulfonamide derivatives as PPAR modulators LILLY CO ELI (US) 2006-03-22 CN disclosed