SCHEMBL6907990

SCHEMBL6907990

O=C(O)CCCCC[C@@H](O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.58
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ASAH1 Q13510 1/20 0.50
LTB4R Q15722 1/20 0.50
TBXA2R P21731 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
RIPK1 Q13546 1/20 0.47

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
SCHEMBL6907995 1.00 TBXAS1 (0.58) TBXAS1HDAC1HDAC8HDAC3HDAC4
SCHEMBL9308449 1.00 TBXAS1 (0.58) TBXAS1HDAC1HDAC8HDAC3HDAC4
SCHEMBL27820361 0.98 TBXAS1 (0.55) TBXAS1HDAC1HDAC8HDAC3HDAC4
SCHEMBL27585172 0.98 TBXAS1 (0.55) TBXAS1HDAC1HDAC8HDAC3HDAC4
SCHEMBL2743315 0.92 HDAC3 (0.50) TBXAS1HDAC1HDAC8HDAC3HDAC4
SCHEMBL8742857 0.92 HDAC3 (0.50) TBXAS1HDAC1HDAC8HDAC3HDAC4
SCHEMBL11836011 0.89 ASAH1 (0.50) TBXAS1HDAC1HDAC8MAPTASAH1
SCHEMBL8942907 0.89 ASAH1 (0.50) TBXAS1HDAC1HDAC8MAPTASAH1
SCHEMBL11831229 0.89 ASAH1 (0.50) TBXAS1HDAC1HDAC8MAPTASAH1
SCHEMBL10993868 0.87 FFAR1 (0.49) TBXAS1HDAC1HDAC8HDAC3HDAC4

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