SCHEMBL8812736

SCHEMBL8812736

COc1cc2[nH]oc(=O)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ MPO P05164 2/20 0.41
▸ XDH P47989 2/20 0.41
▸ PDE3B Q13370 5/20 0.41
▸ PDE3A Q14432 5/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 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
SCHEMBL1317723 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL2847064 0.74 ALDH1A1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL2847067 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9300789 0.72 ALDH1A1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL8424993 0.68 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL31195781 0.68 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL7983948 0.68 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL14644670 0.67 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL31664560 0.67 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL7983954 0.67 ALDH1A1 (0.70) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D

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
US-5679773-A SOLID PHASE SYNTHESIS AFFYMAX TECHNOLOGIES N.V (GB) 1997-10-21 — — US disclosed
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