SCHEMBL9303907

SCHEMBL9303907

O=C(O)CCCCCCCCCCCCCCCCC=Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.68
PAM P19021 1/20 0.56
PPARA Q07869 1/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
ALDH1A1 P00352 1/20 0.51
TOP1 P11387 1/20 0.51
MAPT P10636 2/20 0.50
DUSP3 P51452 2/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL8093646 1.00 TBXAS1 (0.68) TBXAS1PAMPPARAHDAC1HDAC8
SCHEMBL849354 1.00 TBXAS1 (0.68) TBXAS1PAMPPARAHDAC1HDAC8
SCHEMBL5176079 1.00 TBXAS1 (0.68) TBXAS1PAMPPARAHDAC1HDAC8
SCHEMBL8093649 1.00 TBXAS1 (0.68) TBXAS1PAMPPARAHDAC1HDAC8
SCHEMBL849353 1.00 TBXAS1 (0.68) TBXAS1PAMPPARAHDAC1HDAC8
SCHEMBL11606213 1.00 TBXAS1 (0.68) TBXAS1PAMPPARAHDAC1HDAC8
SCHEMBL850919 0.98 TBXAS1 (0.69) TBXAS1PAMPPARAHDAC1HDAC8
SCHEMBL850920 0.98 TBXAS1 (0.69) TBXAS1PAMPPARAHDAC1HDAC8
SCHEMBL1363095 0.93 TBXAS1 (0.62) TBXAS1PAMPPARAHDAC1HDAC8
SCHEMBL8798110 0.93 TBXAS1 (0.62) TBXAS1PAMPPARAHDAC1HDAC8

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-5279759-A Soap blend HENKEL CORPORATION (US) 1994-01-18 US disclosed