SCHEMBL28337642

SCHEMBL28337642

O[C@H](c1ccc2ccccc2c1)[C@H]1CO1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.52
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
SLC6A3 Q01959 11/20 0.43
SLC6A2 P23975 9/20 0.41
SLC6A4 P31645 9/20 0.41
KCNH2 Q12809 5/20 0.41
CYP2D6 P10635 2/20 0.41
AOC3 Q16853 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP3A4 P08684 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
SCHEMBL28337645 1.00 UGT2B7 (0.52) UGT2B7MAPTMEN1KMT2AATM
SCHEMBL2271173 0.77 SLC6A3 (0.48) UGT2B7MAPTMEN1KMT2AATM
SCHEMBL4992450 0.77 EPHX1 (0.48) TSHR
SCHEMBL5668164 0.77 EPHX1 (0.48) TSHR
SCHEMBL2411371 0.77 EPHX1 (0.48) TSHR
SCHEMBL5001662 0.77 EPHX1 (0.48) TSHR
SCHEMBL4992445 0.77 EPHX1 (0.48) TSHR
SCHEMBL5001663 0.77 EPHX1 (0.48) TSHR
SCHEMBL4992437 0.77 EPHX1 (0.48) TSHR
SCHEMBL5001664 0.77 EPHX1 (0.48) TSHR

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
CN-110564755-B Method for preparing (S) -3-phenyl-1, 2-epoxypropane and derivatives thereof by using biological enzyme catalysis 河南农业大学 2021-01-12 CN disclosed
CN-110564755-A Method for preparing (S) -3-phenyl-1, 2-epoxypropane and derivatives thereof by using biological enzyme catalysis 河南农业大学 2019-12-13 CN disclosed