SCHEMBL8701223

SCHEMBL8701223

Cc1ccccc1CCCCC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.62
HDAC3 O15379 9/20 0.62
HDAC2 Q92769 8/20 0.62
HDAC6 Q9UBN7 8/20 0.62
HDAC8 Q9BY41 7/20 0.62
HDAC4 P56524 6/20 0.62
HDAC7 Q8WUI4 6/20 0.62
HDAC10 Q969S8 6/20 0.62
HDAC11 Q96DB2 6/20 0.62
HDAC9 Q9UKV0 6/20 0.62
HDAC5 Q9UQL6 6/20 0.62
NOTUM Q6P988 1/20 0.51
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8698539 0.96 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL11694913 0.79 HDAC8 (0.75) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL20108460 0.78 ALDH1A1 (0.72) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL8701679 0.77 HDAC1 (0.57) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL8226957 0.77 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL7367763 0.76 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4253986 0.76 MAPT (0.56) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL1233439 0.76 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL8587363 0.76 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL8701697 0.75 ALOX5 (0.43) HDAC1HDAC2ALDH1A1HTT

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-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US claimed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed