SCHEMBL8833264

SCHEMBL8833264

O=C(O)C(=O)C1=CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.55
HDAC4 P56524 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CTSK P43235 1/20 0.44
CCR2 P41597 1/20 0.37
ACMSD Q8TDX5 1/20 0.35
TSHR P16473 1/20 0.33
SLC6A1 P30531 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
FFAR1 O14842 1/20 0.33
BLM P54132 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8833852 0.93 HDAC2 (0.54) HDAC2HDAC4HDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL10623276 0.84 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL570578 0.81
SCHEMBL3628743 0.80 HDAC2 (0.53) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL518453 0.79 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL1628262 0.79 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL6912982 0.79 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL8599803 0.79 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL11169395 0.79 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL20184157 0.79 HDAC2 (0.57) HDAC2HDAC4HDAC8HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed
US-4369206-A HARDENING COATING WITH AMINES BAYER AKTIENGESELLSCHAFT (DE) 1983-01-18 US disclosed
EP-0008626-B1 AMMONIUM SALTS OF ALPHA-KETOCARBOXYLIC ACIDS, THEIR USE IN THE PREPARATION OF AMINES AND COATING MATERIALS CONTAINING THEM BAYER AG (DE) 1981-07-29 EP disclosed
EP-0008626-A1 Ammonium salts of alpha-ketocarboxylic acids, their use in the preparation of amines and coating materials containing them BAYER AG (DE) 1980-03-19 EP disclosed