SCHEMBL9507376

SCHEMBL9507376

CCOC(=O)C(C#N)(c1ccc(OC)cc1)C(C#N)(C(=O)OCC)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ GAA P10253 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HSD17B10 Q99714 2/20 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
SCHEMBL5875538 0.86 MAPT (0.41) ALDH1A1GAAKDM4EHPGDKMT2A
SCHEMBL6283925 0.84 PIN1 (0.50) ALDH1A1KMT2ARECQLTSHRPOLB
SCHEMBL3860904 0.78 ALDH1A1 (0.51) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL7387122 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL6992755 0.77 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL20325777 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL5429827 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL9475980 0.76 ALDH1A1 (0.49) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL21874052 0.75 ALDH1A1 (0.46) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL9476928 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5009246-A — — None — — JP disclosed
JP-H059246-A PRODUCTION OF MOLDED FRP ARTICLE AND PREPREG FOR PRODUCING SAME KAYAKU AKZO KK 1993-01-19 — — JP disclosed
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