SCHEMBL16468009

SCHEMBL16468009

O=C(O)CCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.55
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 2/20 0.44

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
SCHEMBL1633685 0.94 KIF11 (0.53) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL1635914 0.92 HDAC3 (0.53) KIF11HDAC3HDAC4HDAC1HDAC7
Phosphine SCHEMBL29270354 0.92 KIF11 (0.52) KIF11HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL9938231 0.90 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL30806221 0.89 KIF11 (0.46) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL5329346 0.87 KIF11 (0.53) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL7708780 0.85 KIF11 (0.66) KIF11KCNH2
SCHEMBL27884300 0.82 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11754754 0.80 CYP2C19 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL523363 0.80 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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
CN-117567605-A Method and reagent for detecting protein lysine-3-hydroxybutyrylation 杭州景杰生物科技股份有限公司 2024-02-20 CN disclosed
US-11385240-B2 Reagents and methods for detecting protein lysine 3-hydroxybutyrylation PTM BIO LLC (US) 2022-07-12 US disclosed
US-20190331695-A1 REAGENTS AND METHODS FOR DETECTING PROTEIN LYSINE 3-HYDROXYBUTYRYLATION PTM BIO LLC (US) 2019-10-31 US disclosed
CN-104592379-A Method and reagent for detecting protein lysine-3-hydroxybutyrylation JINGJIE PTM BIOLAB HANGZHOU CO LTD 2015-05-06 CN disclosed
US-20150051093-A1 Reagents And Methods for Detecting Protein Lysine 3-Hydroxybutyrylation PTM BIOLABS, INC. (US) 2015-02-19 US disclosed