SCHEMBL3839548

SCHEMBL3839548

COc1ccc(C(OCC(NC(=O)CCCCCN)C(C)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KIF11 P52732 3/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ HTR1A P08908 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR6 P50406 2/20 0.39

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
SCHEMBL5964225 1.00 GAA (0.43) GAAKMT2AALDH1A1KIF11KCNH2
SCHEMBL20371134 0.92 GAA (0.45) GAAKMT2AALDH1A1HDAC1HDAC6
SCHEMBL20371135 0.89 HDAC6 (0.43) GAAKMT2AALDH1A1HDAC6HTR1A
SCHEMBL18349843 0.85 HDAC1 (0.45) GAAKMT2AALDH1A1HDAC1HDAC6
SCHEMBL19519943 0.85 GAA (0.46) GAAKMT2AALDH1A1KIF11KCNH2
SCHEMBL8842993 0.83 MMP2 (0.46) KMT2AALDH1A1KIF11KCNH2HDAC1
SCHEMBL19709614 0.83 HDAC6 (0.42) GAAKMT2AALDH1A1HDAC1HDAC6
SCHEMBL16949984 0.81 BCHE (0.46) —
SCHEMBL16982718 0.81 BCHE (0.46) —
SCHEMBL16982822 0.81 BCHE (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036897-B1 Stable rhodamine labeling reagent ROCHE DIAGNOSTICS GMBH (DE) 2017-10-18 — — EP disclosed
EP-2036897-A1 Stable rhodamine labeling reagent Roche Diagnostics GmbH (DE) 2009-03-18 — — EP disclosed
EP-2036897-A1 Stable rhodamine labeling reagent Roche Diagnostics GmbH (DE) 2009-03-18 — — EP disclosed
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