SCHEMBL7311334

SCHEMBL7311334

CCN(CC)Cc1ccc2cc(CONC(=O)c3ccc(C(=O)O)cc3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
NCOR2 Q9Y618 1/20 0.57
RAB9A P51151 7/20 0.49
NPC1 O15118 5/20 0.49
ACHE P22303 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEP1B Q16820 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL5175761 0.91 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL7320637 0.89 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL7321115 0.82 NPC1 (0.59) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL7321545 0.82 HDAC1 (0.53) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL7320904 0.81 HDAC1 (0.58) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL22071363 0.81 HDAC6 (0.75) HDAC6HDAC1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL7321060 0.81 HDAC1 (0.57) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL7314359 0.80 HDAC6 (0.62) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL7322814 0.80 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL24503177 0.79 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC3HDAC4

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