SCHEMBL4469151

SCHEMBL4469151

CC(C)c1cc(C2(c3cc(Cl)c(O)c(C(C)C)c3)CCCCC2)cc(Cl)c1O.Cc1cc(C2(c3cc(C)c(O)c(Br)c3)CCCCC2)cc(Br)c1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
LMNA P02545 2/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
ALOX12 P18054 1/20 0.31
PPARA Q07869 1/20 0.31
KCNH2 Q12809 2/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL31287197 0.87 ACHE (0.50) ACHEESR1ESR2GABRA1GABRB1
SCHEMBL297845 0.87 ACHE (0.50) ACHEESR1ESR2GABRA1GABRB1
SCHEMBL296625 0.84 ACHE (0.50) ACHEESR1ESR2GABRA1GABRB1
SCHEMBL31287170 0.84 ACHE (0.50) ACHEESR1ESR2GABRA1GABRB1
SCHEMBL31287125 0.83 ACHE (0.76) ACHEESR1ESR2LMNAALOX12
SCHEMBL10791433 0.83 ACHE (0.76) ACHEESR1ESR2LMNAALOX12
SCHEMBL297912 0.83 ACHE (0.76) ACHEESR1ESR2LMNAALOX12
SCHEMBL4564678 0.82 ACHE (0.37) ACHEGABRA1GABRB1
SCHEMBL297822 0.80 ACHE (0.76) ACHEESR1ESR2LMNASLC6A2
SCHEMBL10787766 0.80 ACHE (0.76) ACHEESR1ESR2LMNASLC6A2

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