SCHEMBL6432230

SCHEMBL6432230

C[C@H](CC(=O)NCc1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MME P08473 1/20 0.49
EPHX2 P34913 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4788083 1.00 HPGD (0.60) HPGDMEN1KMT2AGAAALDH1A1
SCHEMBL14183971 0.87 KMT2A (0.63) HPGDMEN1KMT2AGAAALDH1A1
SCHEMBL4929420 0.86 HPGD (0.53) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3240749 0.84 LMNA (0.55) HPGDGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL4747291 0.84 GAA (0.58) HPGDMEN1KMT2AGAAALDH1A1
SCHEMBL15514213 0.83 KMT2A (0.63) HPGDMEN1KMT2AGAAALDH1A1
SCHEMBL5866871 0.83 ALDH1A1 (0.71) HPGDMEN1KMT2AGAAALDH1A1
SCHEMBL27754759 0.82 GAA (0.54) HPGDMEN1KMT2AGAAALDH1A1
SCHEMBL14381152 0.82 GAA (0.54) HPGDMEN1KMT2AGAAALDH1A1
SCHEMBL6431910 0.82 PLA2G1B (0.57) HPGDMEN1KMT2AGAAALDH1A1

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
WO-2005020895-A2 METHOD FOR THE TREATMENT OR PREVENTION OF BONE DISORDERS WITH A CYCLOOXYGENASE-2 INHIBITOR ALONE AND IN COMBINATION WITH A BONE DISORDER TREATMENT AGENT AND COMPOSITIONS THEREWITH PHARMACIA CORPORATION (US) 2005-03-10 WO disclosed
US-5610190-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-03-11 US disclosed
US-5602175-A HYDROXYETHYLAMINE COMPOUNDS; USEFUL IN TREATMENT OF INFECTIONS CAUSED BY THE HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1997-02-11 US disclosed
US-5510487-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed