SCHEMBL7516031

SCHEMBL7516031

CC(O)[C@H](O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.46
HTT P42858 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 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
SCHEMBL319274 1.00 RCE1 (0.46) RCE1HTTTSHRALDH1A1LMNA
SCHEMBL23030029 0.88 MAPT (0.47) RCE1HTTTSHRALDH1A1LMNA
SCHEMBL7155541 0.85 MAPT (0.53) RCE1HTTTSHRALDH1A1LMNA
SCHEMBL17663535 0.85 MAPT (0.53) RCE1HTTTSHRALDH1A1LMNA
SCHEMBL13174889 0.84 SLC1A3 (0.50) RCE1HTTTSHRALDH1A1LMNA
SCHEMBL20403336 0.84 SLC1A3 (0.50) RCE1HTTTSHRALDH1A1LMNA
SCHEMBL178116 0.83 SLC1A3 (0.49) RCE1HTTTSHRALDH1A1LMNA
SCHEMBL15013883 0.83 RCE1 (0.54) RCE1HTTTSHRALDH1A1LMNA
SCHEMBL875014 0.83 RCE1 (0.54) RCE1HTTTSHRALDH1A1LMNA
SCHEMBL874697 0.83 RCE1 (0.54) RCE1HTTTSHRALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730860-B1 Mixed micelles HOFFMANN LA ROCHE (CH) 2002-01-02 EP disclosed
US-5747066-A PHOSPHATIDES, BILE ACID SALT OR DIHEXANOYLLECITHIN HOFFMANN-LA ROCHE INC. (US) 1998-05-05 US disclosed
EP-0730860-A2 Mixed micelles F. HOFFMANN-LA ROCHE AG (CH) 1996-09-11 EP disclosed