SCHEMBL13685178

SCHEMBL13685178

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
EPHX1 P07099 1/20 0.42
HCAR2 Q8TDS4 4/20 0.39

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
SCHEMBL13685255 0.81 GABRP (0.50) ACHEBACE1GABRPGABRDGABRA1
SCHEMBL13685144 0.74 EPHX1 (0.40) ACHEBACE1EPHX1THRBGMNN
SCHEMBL13685145 0.74 EPHX1 (0.40) ACHEBACE1EPHX1THRBGMNN
SCHEMBL11566659 0.73
SCHEMBL8965243 0.72 ACHE (0.55) ACHEBACE1GABRPGABRDGABRA1
SCHEMBL11294972 0.72 EPHX1 (0.32) EPHX1
SCHEMBL11294974 0.72 EPHX1 (0.32) EPHX1
SCHEMBL8965248 0.72 ACHE (0.55) ACHEBACE1GABRPGABRDGABRA1
SCHEMBL2474049 0.71 EPHX1 (0.57) EPHX1THRBGMNNTP53POLB
SCHEMBL30527786 0.71 ACHE (0.49) ACHEBACE1GABRPGABRDGABRA1

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