SCHEMBL7977563

SCHEMBL7977563

COCCOCCOCCOc1cccc(C(=O)OC)c1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 6/20 0.55
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 3/20 0.49
PTK2B Q14289 1/20 0.49
MAPT P10636 4/20 0.46
HSP90AA1 P07900 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL23748685 0.89 KDM4E (0.53) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL28478929 0.87 ALDH1A1 (0.66) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1662789 0.85 TSHR (0.63) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL31437079 0.84 MAPT (0.49) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL24571900 0.84 MAPT (0.49) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL31033384 0.82 CHEK1 (0.51) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5838452 0.82 CHEK1 (0.51) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL385973 0.82 HSP90AA1 (0.59) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1050558 0.81 ALDH1A1 (0.49) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL11252714 0.79 KDM4E (0.43) KDM4EALDH1A1LMNASMN1; SMN2KMT2A

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed