SCHEMBL13875436

SCHEMBL13875436

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
PKM P14618 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 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) MAPTCES2CES1NPC1RAB9A
SCHEMBL13875394 0.87 MAPT (0.42) MAPTCES2CES1POLBAPEX1
SCHEMBL13875437 0.86 CES2 (0.41) MAPTCES2CES1NPC1RAB9A
SCHEMBL14845444 0.86 THRB (0.35) MAPTPOLBAPEX1HTTTDP1
SCHEMBL13875415 0.85 MAPT (0.41) MAPTCES2CES1POLBCYP1A2
SCHEMBL14845473 0.85 THRB (0.34) MAPTPOLBAPEX1HTTTDP1
SCHEMBL13875443 0.85 POLB (0.34) MAPTPOLBAPEX1HTTTDP1
SCHEMBL13875425 0.85 RAB9A (0.37) MAPTPOLBAPEX1HTTTDP1
SCHEMBL13875433 0.83 CES2 (0.47) MAPTCES2CES1NPC1RAB9A
SCHEMBL14845472 0.81 POLB (0.33) POLBAPEX1HTTTDP1PKM

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