SCHEMBL27620262

SCHEMBL27620262

CCC(=O)OCC(C)n1ccc2cc(O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL27619977 0.86 DPP7 (0.32) GAAALDH1A1ALOX15MTNR1AMTNR1B
SCHEMBL27620024 0.81 SRD5A2 (0.48) MEN1KMT2ALMNAMAOB
SCHEMBL3681424 0.77 GAA (0.40) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL14977607 0.76 BRD4 (0.47) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL2000119 0.74 NR3C2 (0.39) KMT2ACA12CA1CA2CA7
SCHEMBL2000984 0.74 NR3C2 (0.39) KMT2ACA12CA1CA2CA7
SCHEMBL27639166 0.74 MTNR1A (0.46) GAAKDM4EMTNR1AMTNR1B
SCHEMBL27658305 0.73 NTSR1 (0.42) ALDH1A1KDM4ESMN1; SMN2HSP90AB1HPGD
SCHEMBL21244767 0.72 KDM4E (0.39) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL2002647 0.72 PTGS2 (0.38) GAAMEN1KMT2AALDH1A1KDM4E

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