SCHEMBL8712663

SCHEMBL8712663

O=C(O)C(O)(CO)CCCCCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.51
HDAC2 Q92769 5/20 0.51
KCNA3 P22001 1/20 0.50
PPARA Q07869 2/20 0.49
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
FDPS P14324 1/20 0.45
PKM P14618 1/20 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
SCHEMBL8070653 0.84 TDP1 (0.51) HDAC1HDAC2KCNA3PPARARECQL
SCHEMBL7619994 0.78 PPARA (0.55) HDAC1HDAC2KCNA3PPARAHDAC3
SCHEMBL4654978 0.78 HDAC1 (0.62) HDAC1HDAC2KCNA3PPARAHDAC3
SCHEMBL8497490 0.76 KCNA3 (0.55) HDAC1HDAC2KCNA3PPARAHDAC3
SCHEMBL9416411 0.76 PPARA (0.79) KCNA3PPARA
SCHEMBL8496883 0.76 KCNA3 (0.55) HDAC1HDAC2KCNA3PPARAHDAC3
Hydrochloric Acid SCHEMBL8496581 0.74 KCNA3 (0.53) HDAC1HDAC2KCNA3HDAC3HDAC4
Hydrochloric Acid SCHEMBL8496922 0.74 KCNA3 (0.53) HDAC1HDAC2KCNA3HDAC3HDAC4
SCHEMBL8851808 0.74 LTA4H (0.57) KCNA3ALDH1A1
SCHEMBL8501770 0.74 L3MBTL1 (0.52) HDAC1HDAC2KCNA3PPARARECQL

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
WO-1998000389-A1 2-HYDROXYPROPIONIC ACID DERIVATIVE AND ITS MANUFACTURING METHOD JEW SANG SUP (KR) 1998-01-08 WO disclosed