SCHEMBL8953561

SCHEMBL8953561

COc1ccccc1CC(O)C(=O)O.COc1ccccc1CC(O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL16815732 1.00 KMT2A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL7516087 1.00 KMT2A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL463315 1.00 KMT2A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL10830353 0.85 HTT (0.48) KMT2AMEN1ALDH1A1GAACRHBP
SCHEMBL28019826 0.85 HPGD (0.50) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL7385695 0.84 CYP1A2 (0.59) KMT2AMEN1ALDH1A1GAACRHBP
SCHEMBL8953568 0.84 CYP1A2 (0.45) KMT2AMEN1ALDH1A1GAACRHBP
SCHEMBL1419560 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1GAACRHBP
SCHEMBL16815475 0.82 MEN1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL18342037 0.82 CYP1A2 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2GAA

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-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 — — US disclosed
Send feedback