SCHEMBL17359704

SCHEMBL17359704

[CH2]C[C@@H](O)[C@H](O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.52
SLC6A4 P31645 5/20 0.52
SLC6A3 Q01959 5/20 0.52
KDM4E B2RXH2 3/20 0.46
ADRA2C P18825 2/20 0.46
LMNA P02545 2/20 0.46
ADRA2A P08913 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
AOC3 Q16853 2/20 0.43
CHRM2 P08172 1/20 0.43
ADRA1A P35348 1/20 0.43
RGS12 O14924 1/20 0.43
GLA P06280 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7958722 0.81 TACR1 (0.43) SLC6A2SLC6A4SLC6A3KDM4EADRA2C
SCHEMBL117950 0.78 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KDM4EADRA2C
SCHEMBL30801376 0.78 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KDM4EADRA2C
SCHEMBL17593226 0.77 LMNA (0.45) KDM4EADRA2CLMNAADRA2AHIF1A
SCHEMBL6939841 0.76 LMNA (0.60) SLC6A2SLC6A4SLC6A3KDM4EADRA2C
SCHEMBL21199783 0.76 SLC6A4 (0.69) SLC6A2SLC6A4SLC6A3KDM4EADRA2C
SCHEMBL18087746 0.76 LMNA (0.60) SLC6A2SLC6A4SLC6A3KDM4EADRA2C
SCHEMBL14626065 0.76 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KDM4EADRA2C
SCHEMBL915218 0.76 LMNA (0.62) SLC6A2SLC6A4SLC6A3KDM4EADRA2C
SCHEMBL2889714 0.76 LMNA (0.62) SLC6A2SLC6A4SLC6A3KDM4EADRA2C

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-9221783-B2 Phenylalkyl sulfamate compound and muscle relaxant composition comprising the same BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-12-29 US disclosed