SCHEMBL7320879

SCHEMBL7320879

CN(C)Cc1ccc(CONC(=O)Cc2ccc(C(=O)NO)cc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.51
HDAC1 Q13547 16/20 0.51
HDAC8 Q9BY41 9/20 0.51
HDAC10 Q969S8 6/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC3 O15379 5/20 0.51
NCOR2 Q9Y618 2/20 0.51
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50

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
SCHEMBL7321644 0.89 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL7317107 0.85 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL7314630 0.84 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL7318870 0.77 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL7321597 0.77 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL7320871 0.77 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC10HDAC2
Hydrochloric Acid SCHEMBL7313681 0.76 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL7325419 0.75 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL7322140 0.74 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC10HDAC2
SCHEMBL7322595 0.73 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC10HDAC2

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
EP-0901465-B1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO SPA (IT) 2000-09-27 EP disclosed
US-6034096-A Compounds with anti-inflammatory and immunosuppressive activities ITALFARMACO S.P.A. (IT) 2000-03-07 US disclosed