SCHEMBL9798172

SCHEMBL9798172

COC(=O)/C(=C\O)c1ccccc1OCCCCOc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
HDAC6 Q9UBN7 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9798178 1.00 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL10337959 0.91 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL10337957 0.88 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL10337958 0.88 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL10443318 0.81 SGMS2 (0.58) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL6938166 0.81 SGMS2 (0.58) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL10534057 0.77 LMNA (0.54) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL2450380 0.77 ALDH1A1 (0.90) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL2454087 0.76 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL7772756 0.75 LMNA (0.59) ALDH1A1KMT2AMEN1L3MBTL1LMNA

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-5008438-A Ortho-substituted phenol ethers and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed