SCHEMBL6913607

SCHEMBL6913607

O=C(O)CCCCCC(OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
TBXAS1 P24557 3/20 0.48
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
UTS2R Q9UKP6 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PPARA Q07869 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL6913601 1.00 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1785848 0.88 TSHR (0.52) TP53TSHRUTS2RSIGMAR1MAPT
SCHEMBL9341086 0.85 ALDH1A1 (0.50) TP53TSHRUTS2RSIGMAR1LMNA
SCHEMBL9309152 0.84 TBXAS1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2455385 0.84 ALDH1A1 (0.48) TP53TSHRUTS2RSIGMAR1MAPT
SCHEMBL11710035 0.81 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27603778 0.81 ALDH1A1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9419401 0.79 FFAR4 (0.49) HDAC11TSHRPPARATDP1LMNA
SCHEMBL28637211 0.79 UTS2R (0.51) TSHRUTS2RSIGMAR1MAPTLMNA
SCHEMBL8468699 0.78 UTS2R (0.50) TP53TSHRUTS2RSIGMAR1MAPT

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-6720439-B1 EFFICIENT REDUCTION OF BASE SENSITIVE CARBONYL COMPOUNDS; SEPARATING RACEMIC CARBONYL COMPOUNDS; CHIRAL CATALYSTS NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2004-04-13 US disclosed