SCHEMBL3744678

SCHEMBL3744678

O=C(O)CCCCCCC(c1ccccc1)C(CCCCCCC(=O)O)c1ccccc1.[KH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
MAPT P10636 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TBXA2R P21731 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL10396325 0.98 HDAC3 (0.58) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3744244 0.98 HDAC3 (0.58) TBXAS1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL10947001 0.96 TBXAS1 (0.56) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14360244 0.94 TBXAS1 (0.54) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14360572 0.91 TBXAS1 (0.52) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14360575 0.90 HDAC3 (0.52) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10946999 0.87 TBXAS1 (0.49) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14360270 0.86 TBXAS1 (0.51) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7683666 0.85 TBXAS1 (0.73) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7773626 0.85 TBXAS1 (0.73) TBXAS1HDAC3HDAC4HDAC1HDAC7

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-7833951-B2 Water-soluble metal working lubricant HONDA MOTOR CO., LTD. (JP) 2010-11-16 US disclosed
US-20060240996-A1 Water-soluble metal working lubricant HONDA MOTOR CO., LTD. (JP) 2006-10-26 US disclosed