SCHEMBL6949248

SCHEMBL6949248

COC(=O)N[C@@H](CC(=O)C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 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
SCHEMBL6943721 1.00 TSHR (0.44) TSHRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL27470668 0.89 CYP2D6 (0.47) TSHRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL27555687 0.89 CYP2D6 (0.47) TSHRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL756366 0.87 SMN1; SMN2 (0.52) TSHRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL755362 0.87 SMN1; SMN2 (0.52) TSHRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL8122753 0.87 SMN1; SMN2 (0.52) TSHRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL890212 0.85 ALDH1A1 (0.48) TSHRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL20993380 0.85 KMT2A (0.52) TSHRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL18117406 0.85 ALDH1A1 (0.48) TSHRKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL890199 0.85 ALDH1A1 (0.48) TSHRKMT2AALDH1A1CYP3A4CYP2D6

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-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP disclosed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US disclosed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 EP disclosed