SCHEMBL6154554

SCHEMBL6154554

O=C(NCC1CO[S@](=O)O1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CCKBR P32239 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41

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
SCHEMBL6154033 1.00 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1GAACYP1A2
SCHEMBL6154117 0.83 LMNA (0.55) SMN1; SMN2LMNAALDH1A1GAACYP1A2
SCHEMBL633303 0.83 LMNA (0.55) SMN1; SMN2LMNAALDH1A1GAACYP1A2
SCHEMBL633304 0.83 LMNA (0.55) SMN1; SMN2LMNAALDH1A1GAACYP1A2
SCHEMBL13897189 0.75 CYP1A2 (0.50) SMN1; SMN2LMNAALDH1A1GAACYP1A2
SCHEMBL20253696 0.75 FABP7 (0.43) SMN1; SMN2LMNAALDH1A1GAATSHR
SCHEMBL31424314 0.74 LMNA (0.50) LMNAHTTTSHRL3MBTL1MAPT
SCHEMBL2621408 0.74 TMEM97 (0.49) SMN1; SMN2LMNAALDH1A1GAACYP1A2
SCHEMBL30772550 0.74 CYP1A2 (0.52) SMN1; SMN2LMNAALDH1A1GAACYP1A2
SCHEMBL8393648 0.74 LMNA (0.58) SMN1; SMN2LMNAALDH1A1GAACYP1A2

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-1553093-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE 1-SUBSTITUTED AMINO-2,3-EPOXYPROPANES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND PROCESS FOR PREPARATION OF THE INTERMEDIATES KANEKA CORPORATION (JP) 2005-07-13 EP disclosed