SCHEMBL6950840

SCHEMBL6950840

CN(C(=O)O)[C@@H](Cc1ccccc1)C(=O)CCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
UBE2N P61088 1/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
CYP1A2 P05177 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
GLA P06280 1/20 0.42
PAX8 Q06710 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL8603114 1.00 HPGD (0.47) HPGDALDH1A1MAPTUBE2NHTT
SCHEMBL6946975 1.00 HPGD (0.47) HPGDALDH1A1MAPTUBE2NHTT
SCHEMBL3648776 0.84 CYP1A2 (0.52) HPGDALDH1A1MAPTUBE2NADAMTS5
SCHEMBL5169742 0.83 ALDH1A1 (0.46) HPGDALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5170328 0.83 ALDH1A1 (0.46) HPGDALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5169748 0.83 ALDH1A1 (0.46) HPGDALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL6950934 0.83 LMNA (0.41) HPGDALDH1A1MAPTUBE2NHTT
SCHEMBL6950145 0.83 LMNA (0.41) HPGDALDH1A1MAPTUBE2NHTT
SCHEMBL6950290 0.82 ALDH1A1 (0.45) HPGDALDH1A1HTTSMN1; SMN2NCOA1
SCHEMBL6947458 0.82 ALDH1A1 (0.45) HPGDALDH1A1HTTSMN1; SMN2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP claimed
US-5977388-A Compounds useful for preparing an α,α'-diaminoalcohol HOFFMANN-LA ROCHE INC. (US) 1999-11-02 US claimed
CN-1238327-A Stereoselective reduction of carbonyl compounds HOFFMANN LA ROCHE (CH) 1999-12-15 CN disclosed
US-5847144-A Process for manufacturing α,α'-diaminoalcohol HOFFMANN-LA ROCHE INC. (US) 1998-12-08 US disclosed