SCHEMBL8768549

SCHEMBL8768549

COC(=O)C(=O)CCC(C(=O)OC)c1ccccc1NC(=O)C(C)c1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ GPR88 Q9GZN0 6/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA4 P22748 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL8767991 0.86 LMNA (0.42) GPR88L3MBTL1LMNACA12CA1
SCHEMBL8418613 0.77 ALDH1A1 (0.40) GPR88L3MBTL1LMNACA12CA1
SCHEMBL8422576 0.71 AKR1C2 (0.48) GPR88L3MBTL1LMNACA12CA1
SCHEMBL8420680 0.71 NR1H4 (0.39) GPR88L3MBTL1LMNACA12CA1
SCHEMBL8767168 0.71 L3MBTL1 (0.50) GPR88L3MBTL1LMNACA12CA1
SCHEMBL8420287 0.70 HTT (0.53) LMNACA12CA1CA2CA4
SCHEMBL8422536 0.70 HTT (0.46) L3MBTL1LMNACA12CA1CA2
SCHEMBL8418609 0.69 CA12 (0.43) GPR88L3MBTL1LMNACA12CA1
SCHEMBL8422412 0.69 MEN1 (0.48) GPR88L3MBTL1LMNACA12CA1
SCHEMBL8422462 0.69 L3MBTL1 (0.45) L3MBTL1LMNACA12CA1CA2

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
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 — — EP disclosed
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