SCHEMBL7311325

SCHEMBL7311325

CCN(CC)Cc1ccc2cc(N(OC)C(=O)c3ccc(C(=O)O)cc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.48
ALOX5 P09917 3/20 0.48
ACHE P22303 2/20 0.44
LPAR1 Q92633 6/20 0.44
LPAR5 Q9H1C0 6/20 0.44
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
BCHE P06276 1/20 0.41
MEP1B Q16820 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL2336208 0.81 HDAC6 (0.46) PTGESALOX5ACHEHDAC6HDAC1
SCHEMBL7321539 0.81 PTGES (0.48) PTGESALOX5ACHELPAR1LPAR5
SCHEMBL7321109 0.80 PTGES (0.50) PTGESALOX5LPAR1LPAR5
SCHEMBL7314341 0.78 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL7322358 0.76 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL7320946 0.73 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL4289838 0.73 HDAC8 (0.66) ACHEHDAC6HDAC8BCHEMEP1B
SCHEMBL7311334 0.73 HDAC6 (0.57) ACHEHDAC6HDAC1HDAC8HDAC3
Hydrochloric Acid SCHEMBL6297059 0.72 HDAC8 (0.64) ACHEHDAC6HDAC8BCHEMEP1B
SCHEMBL7321545 0.71 HDAC1 (0.53) PTGESALOX5ACHEHDAC6HDAC1

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 4 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
EP-0901465-A1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO S.p.A. (IT) 1999-03-17 EP disclosed
WO-1997043251-A1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO S.P.A. (IT) 1997-11-20 WO disclosed