SCHEMBL8636320

SCHEMBL8636320

CCP(=O)(O)COc1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP2A6 P11509 1/20 0.44
PTPN1 P18031 1/20 0.41
ALDH1A3 P47895 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.39
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL13858834 0.82 PTPN1 (0.59) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8635512 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL9111554 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL3187007 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL3187016 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8636616 0.74 CYP2C9 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL342467 0.74 NQO1 (0.64) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8759620 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8759510 0.72 ALDH1A3 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL14009819 0.72 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTHPGD

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-0717746-B1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-15 EP disclosed
EP-0717746-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-06-26 EP disclosed
WO-1995007284-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-03-16 WO disclosed