SCHEMBL8360681

SCHEMBL8360681

O=C(CCCCCC(NC(=O)C1CCCCC1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 14/20 0.68
▸ HDAC1 Q13547 13/20 0.68
▸ HDAC11 Q96DB2 13/20 0.68
▸ HDAC6 Q9UBN7 13/20 0.68
▸ HDAC8 Q9BY41 12/20 0.68
▸ HDAC3 O15379 12/20 0.68
▸ HDAC10 Q969S8 11/20 0.68
▸ NCOR2 Q9Y618 6/20 0.68
▸ HDAC4 P56524 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ NCOR1 O75376 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ NR0B1 P51843 1/20 0.51

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
SCHEMBL14254962 1.00 HDAC2 (0.68) HDAC2HDAC1HDAC11HDAC6HDAC8
SCHEMBL4831736 0.90 HDAC3 (0.56) HDAC2HDAC1HDAC11HDAC6HDAC8
SCHEMBL14254961 0.86 HDAC3 (0.52) HDAC2HDAC1HDAC11HDAC6HDAC8
SCHEMBL4831730 0.86 HPGD (0.52) HDAC2HDAC1HDAC11HDAC6HDAC8
SCHEMBL13288509 0.85 HDAC2 (0.61) HDAC2HDAC1HDAC11HDAC6HDAC8
SCHEMBL4828503 0.82 HPGD (0.48) HDAC2HDAC1HDAC11HDAC6HDAC8
SCHEMBL8271583 0.82 HDAC2 (0.68) HDAC2HDAC1HDAC11HDAC6HDAC8
SCHEMBL13288542 0.81 HDAC2 (0.60) HDAC2HDAC1HDAC11HDAC6HDAC8
SCHEMBL14254985 0.80 HDAC1 (0.71) HDAC2HDAC1HDAC11HDAC6HDAC8
SCHEMBL8337680 0.80 HDAC1 (0.71) HDAC2HDAC1HDAC11HDAC6HDAC8

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-1443928-B1 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN KETTERING INST CANCER (US) 2011-07-27 — — EP disclosed
EP-2269609-A2 Treatment of neurodegenerative diseases and cancer of the brain with SAHA Sloan-Kettering Institute for Cancer Research (US) 2011-01-05 — — EP disclosed
WO-2003032921-A2 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-04-24 — — WO disclosed
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