SCHEMBL7745473

SCHEMBL7745473

COC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)O)c2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.61
▸ HDAC6 Q9UBN7 4/20 0.61
▸ HDAC11 Q96DB2 3/20 0.61
▸ HDAC8 Q9BY41 3/20 0.61
▸ MAPT P10636 6/20 0.60
▸ POLB P06746 4/20 0.56
▸ TP53 P04637 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MELK Q14680 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53

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
SCHEMBL7741392 0.91 HDAC1 (0.58) HDAC1HDAC6HDAC11HDAC8MAPT
SCHEMBL16667740 0.87 POLB (0.71) HDAC1HDAC6HDAC11HDAC8MAPT
SCHEMBL7746061 0.86 HDAC1 (0.53) HDAC1HDAC6HDAC11HDAC8MAPT
SCHEMBL10487857 0.86 MAPT (0.64) HDAC1HDAC6HDAC11HDAC8MAPT
SCHEMBL10487883 0.85 HDAC1 (0.64) HDAC1HDAC6HDAC11HDAC8MAPT
SCHEMBL1058355 0.85 HDAC1 (0.66) HDAC1HDAC6HDAC11HDAC8POLB
SCHEMBL10487897 0.84 TSHR (0.62) HDAC1HDAC6HDAC11HDAC8MAPT
SCHEMBL16668055 0.84 MEN1 (0.62) HDAC1HDAC6HDAC11HDAC8MAPT
SCHEMBL10487926 0.83 MEN1 (0.61) HDAC1HDAC6HDAC11HDAC8MAPT
SCHEMBL1002975 0.81 HDAC6 (0.67) HDAC1HDAC6HDAC8HDAC3HDAC2

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
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