SCHEMBL13875437

SCHEMBL13875437

C=CC(=O)O/C=C\OOCCOC(=O)C(=O)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
MAPT P10636 4/20 0.40
PKM P14618 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
TGM2 P21980 1/20 0.35
THRB P10828 2/20 0.34
GSK3B P49841 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL13875434 0.92 CES2 (0.46) CES2CES1MAPTPKMNPC1
SCHEMBL13875436 0.86 MAPT (0.49) CES2CES1MAPTPKMNPC1
SCHEMBL14845436 0.86 THRB (0.33) THRB
SCHEMBL13875386 0.85 THRB (0.43) CES2CES1MAPTSMN1; SMN2THRB
SCHEMBL13875419 0.85 MAPT (0.39) CES2CES1MAPTSMN1; SMN2CA1
SCHEMBL13875424 0.85 RAB9A (0.37) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13875441 0.85 KDM4E (0.32) MAPTTHRBNPSR1
SCHEMBL14845445 0.84 THRB (0.32) THRB
SCHEMBL13875433 0.83 CES2 (0.47) CES2CES1MAPTPKMNPC1
SCHEMBL14845460 0.80 THRB (0.30) THRB

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-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed