SCHEMBL8848740

SCHEMBL8848740

CCCCCCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.38
EPHX2 P34913 2/20 0.35
RECQL P46063 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TERT O14746 1/20 0.31
UCHL3 P15374 1/20 0.31
AKT1 P31749 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL3610461 0.93 EPHX2 (0.31) EPHX2
SCHEMBL1138466 0.87
SCHEMBL18149059 0.77
SCHEMBL4558155 0.75 GBA1 (0.40) GBA1EPHX2RECQLGLAHPGD
SCHEMBL4388734 0.75 GBA1 (0.40) GBA1EPHX2RECQLGLAHPGD
SCHEMBL39230 0.75 GBA1 (0.40) GBA1EPHX2RECQLGLAHPGD
SCHEMBL8416438 0.75 GBA1 (0.40) GBA1EPHX2RECQLGLAHPGD
SCHEMBL7843304 0.75 GBA1 (0.40) GBA1EPHX2RECQLGLAHPGD
SCHEMBL24595378 0.74 GBA1 (0.39) GBA1EPHX2RECQLGLAHPGD
SCHEMBL22371937 0.74 GBA1 (0.39) GBA1EPHX2RECQLGLAHPGD

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-5631366-A OXIDATION OF CEPHEM ALCOHOL TO ALDEHYDE USING HYPOHALITE OR INORGANIC HALITE IN THE PRESENCE OF PIPERIDINE OXIDES HOFFMANN-LA ROCHE INC. (US) 1997-05-20 US claimed