SCHEMBL9406340

SCHEMBL9406340

CCCCCOc1ccc(OC(=O)[C@H]2CC[C@H](CCCCC)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLA2G2D Q9UNK4 1/20 0.37
NPC1 O15118 1/20 0.36
PPARG P37231 1/20 0.36
TP53 P04637 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL9406343 1.00 GAA (0.39) GAAMAPTPKMMEN1HTT
SCHEMBL9406248 0.99 MEN1 (0.39) GAAMAPTPKMMEN1HTT
SCHEMBL9186688 0.99 MEN1 (0.39) GAAMAPTPKMMEN1HTT
SCHEMBL9562577 0.99 MEN1 (0.39) GAAMAPTPKMMEN1HTT
SCHEMBL9406330 0.99 MEN1 (0.39) GAAMAPTPKMMEN1HTT
SCHEMBL9405685 0.99 MEN1 (0.39) GAAMAPTPKMMEN1HTT
SCHEMBL9406016 0.99 MEN1 (0.39) GAAMAPTPKMMEN1HTT
SCHEMBL9406243 0.99 MEN1 (0.39) GAAMAPTPKMMEN1HTT
SCHEMBL9406022 0.99 MEN1 (0.39) GAAMAPTPKMMEN1HTT
SCHEMBL9562573 0.99 MEN1 (0.39) GAAMAPTPKMMEN1HTT

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-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed