SCHEMBL7320904

SCHEMBL7320904

CCCN(CCC)Cc1ccc2cc(CONC(=O)c3ccc(C(=O)NO)cc3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.58
HDAC6 Q9UBN7 9/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC2 Q92769 5/20 0.58
HDAC3 O15379 4/20 0.58
HDAC4 P56524 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
NCOR2 Q9Y618 2/20 0.58
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
BCHE P06276 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
Hydrochloric Acid SCHEMBL7321060 0.99 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL7322814 0.93 HDAC6 (0.56) HDAC1HDAC6HDAC8HDAC2HDAC3
Hydrochloric Acid SCHEMBL7312341 0.92 HDAC6 (0.55) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL5175761 0.91 HDAC6 (0.69) HDAC1HDAC6HDAC8HDAC2HDAC3
Hydrochloric Acid SCHEMBL7320637 0.90 HDAC6 (0.68) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL7322365 0.86 HDAC6 (0.54) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL7321234 0.85 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL7320956 0.83 HDAC6 (0.64) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL18393994 0.83 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC2HDAC3
Hydrochloric Acid SCHEMBL7324476 0.82 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC2HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6034096-A Compounds with anti-inflammatory and immunosuppressive activities ITALFARMACO S.P.A. (IT) 2000-03-07 US claimed