SCHEMBL9534713

SCHEMBL9534713

[CH2]C1(c2ccc(Cl)cc2Cl)CCCO1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A2 P23975 1/20 0.37
POLB P06746 1/20 0.35
MAP3K14 Q99558 3/20 0.35
HSD11B1 P28845 1/20 0.35
HSD11B2 P80365 1/20 0.35
P2RX7 Q99572 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
KDM1A O60341 1/20 0.33
PDE7A Q13946 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9869141 0.75 SLC6A4 (0.38) SLC6A3SLC6A4SLC6A2HSD11B1KDM1A
SCHEMBL2662444 0.68 SLC6A4 (0.41) SLC6A3SLC6A4SLC6A2MAP3K14TP53
SCHEMBL17186750 0.66 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2MAP3K14HSD11B1
SCHEMBL21291315 0.66 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2HSD11B1HSD11B2
SCHEMBL18769595 0.66 SLC6A4 (0.54) SLC6A3SLC6A4SLC6A2HSD11B1HSD11B2
SCHEMBL2171978 0.66 SLC6A4 (0.42) SLC6A3SLC6A4SLC6A2TP53MEN1
SCHEMBL17186865 0.66 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2MAP3K14HSD11B1
SCHEMBL26385838 0.66 SLC6A4 (0.50) SLC6A3SLC6A4SLC6A2HSD11B1HSD11B2
SCHEMBL12134100 0.66 SLC6A4 (0.42) SLC6A3SLC6A4MAP3K14TP53ATM
SCHEMBL17186741 0.66 MAP3K14 (0.43) SLC6A3SLC6A4SLC6A2MAP3K14P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0246982-B1 TRIAZOLE OR IMIDAZOLE AND TETRAHYDROFURAN COMPOUNDS, THEIR USE AS FUNGICIDES AND PREPARATION PROCESSES RHONE-POULENC AGROCHIMIE (FR) 1993-02-03 EP disclosed
EP-0246982-A2 Triazole or imidazole and tetrahydrofuran compounds, their use as fungicides and preparation processes RHONE-POULENC AGROCHIMIE (FR) 1987-11-25 EP disclosed