SCHEMBL27909129

SCHEMBL27909129

COc1ccc(NC(=O)CCCCCC(=O)O)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.84
▸ HDAC1 Q13547 4/20 0.78
▸ HDAC8 Q9BY41 4/20 0.78
▸ HDAC3 O15379 3/20 0.78
▸ HDAC4 P56524 3/20 0.78
▸ HDAC7 Q8WUI4 3/20 0.78
▸ HDAC2 Q92769 3/20 0.78
▸ HDAC10 Q969S8 3/20 0.78
▸ HDAC11 Q96DB2 3/20 0.78
▸ HDAC6 Q9UBN7 3/20 0.78
▸ HDAC9 Q9UKV0 3/20 0.78
▸ HDAC5 Q9UQL6 3/20 0.78
▸ CNR1 P21554 2/20 0.67
▸ KMT2A Q03164 2/20 0.66
▸ ALDH1A1 P00352 6/20 0.65
▸ HTT P42858 1/20 0.65
▸ LMNA P02545 2/20 0.64
▸ MAPT P10636 3/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62

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
SCHEMBL8182879 0.98 L3MBTL1 (0.87) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL17268200 0.95 L3MBTL1 (0.81) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL27291378 0.94 L3MBTL1 (0.96) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL1064050 0.91 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL7827827 0.89 ALDH1A1 (0.76) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL23055044 0.88 HDAC1 (1.00) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL10647695 0.88 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL30444656 0.88 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL12215287 0.88 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL9077076 0.88 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4

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
CN-102952105-A Mycophenolic acid derivative, preparation method thereof and application thereof SHANGHAI INST MATERIA MEDICA 2013-03-06 — — CN disclosed
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