SCHEMBL10722326

SCHEMBL10722326

O=C(CCCCCCCCCCOc1ccc2ccccc2c1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 1.00
HDAC2 Q92769 6/20 0.70
HDAC8 Q9BY41 11/20 0.68
HDAC3 O15379 5/20 0.68
HDAC4 P56524 4/20 0.68
HDAC7 Q8WUI4 4/20 0.68
HDAC10 Q969S8 4/20 0.68
HDAC11 Q96DB2 4/20 0.68
HDAC6 Q9UBN7 4/20 0.68
HDAC9 Q9UKV0 4/20 0.68
HDAC5 Q9UQL6 4/20 0.68

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
SCHEMBL10722160 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL10728312 0.98 HDAC1 (0.97) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL8355645 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL20910939 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL31297136 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL10727767 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL20886119 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL1374669 0.82 HDAC1 (0.67) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL10722424 0.81 HDAC1 (0.68) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL19789098 0.81 HDAC1 (0.97) HDAC1HDAC2HDAC8HDAC3HDAC4

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-4670469-A ANTIASTHMATIC AGENTS; CARDIOVASCULAR DISORDERS VEB ARZNEIMITTELWERK DRESDEN (DD) 1987-06-02 US disclosed
EP-0127726-A1 Hydroxamic acids, their preparation and their use in pharmaceutical compositions VEB Fahlberg-List Magdeburg (DD) 1984-12-12 EP disclosed