SCHEMBL28840559

SCHEMBL28840559

OC1COC(OCc2ccccc2)C1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
TACR1 P25103 1/20 0.41
FUCA1 P04066 2/20 0.41
BCHE P06276 3/20 0.41
SLC5A2 P31639 2/20 0.41
SLC5A1 P13866 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PDE4D Q08499 1/20 0.39
TYR P14679 2/20 0.39
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL6730565 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2
SCHEMBL8600119 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2
SCHEMBL13317630 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2
SCHEMBL7143032 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2
SCHEMBL3425832 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2
SCHEMBL14356311 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2
SCHEMBL5981862 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2
SCHEMBL3954465 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2
SCHEMBL3145889 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2
SCHEMBL3425828 0.97 SLC6A2 (0.44) SLC6A2TACR1FUCA1BCHESLC5A2

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
CN-115028607-A Compound with acaricidal activity, preparation method and application 四川农业大学 2022-09-09 CN disclosed