SCHEMBL13685145

SCHEMBL13685145

CCCCSC(C)C=C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
THRB P10828 2/20 0.32
CES2 O00748 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EP300 Q09472 1/20 0.32
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31

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
SCHEMBL13685144 1.00 EPHX1 (0.40) EPHX1THRBCES2GMNNTP53
SCHEMBL7649876 0.93 EPHX1 (0.49) EPHX1THRBCES2GMNNTP53
SCHEMBL3231458 0.81 PTGS1 (0.32)
SCHEMBL13685089 0.81 PTGS1 (0.32)
SCHEMBL13685178 0.74 ACHE (0.47) EPHX1THRBGMNNTP53POLB
SCHEMBL4946239 0.72 CA2 (0.41) MAPTEP300LCKPPARDZDHHC20
SCHEMBL22500748 0.72 CA2 (0.41) MAPTEP300LCKPPARDZDHHC20
SCHEMBL5403193 0.70 LCK (0.46) TP53MAPTEP300LCKPPARD
SCHEMBL13685288 0.70 APEX1 (0.32)
SCHEMBL11566659 0.70

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
EP-1776399-B1 MONODISPERSE POLYMERS CONTAINING (ALKYL)ACRYLIC ACID MOIETIES, PRECURSORS AND METHODS FOR MAKING THEM AND THEIR APPLICATIONS UNIV GENT (BE) 2012-11-14 EP claimed