SCHEMBL4564678

SCHEMBL4564678

CC(C)(C)c1cc(C2(c3cc(Cl)c(O)c(C(C)(C)C)c3)CCCCC2)cc(Cl)c1O.CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)CCCCC2)cc(Br)c1O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 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
SCHEMBL31287170 0.84 ACHE (0.50) ACHEGABRA1GABRB1
SCHEMBL297680 0.84 ACHE (0.50) ACHE
SCHEMBL296625 0.84 ACHE (0.50) ACHEGABRA1GABRB1
SCHEMBL30443121 0.84 ACHE (0.50) ACHE
SCHEMBL4469151 0.82 ACHE (0.52) ACHEGABRA1GABRB1
SCHEMBL297845 0.81 ACHE (0.50) ACHEGABRA1GABRB1
SCHEMBL31287197 0.81 ACHE (0.50) ACHEGABRA1GABRB1
SCHEMBL298887 0.81 ACHE (0.50) ACHE
SCHEMBL31287210 0.81 ACHE (0.50) ACHE
SCHEMBL6262697 0.80 ESR1 (0.39)

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-1984472-B1 POLYCARBONATE COMPOSITIONS AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP (NL) 2009-11-18 EP disclosed