SCHEMBL7339941

SCHEMBL7339941

C[C@@H](C=O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
PTGS1 P23219 4/20 0.66
PTGS2 P35354 4/20 0.66
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 3/20 0.66
CXCR1 P25024 2/20 0.66
CXCR2 P25025 2/20 0.66
CYP3A4 P08684 2/20 0.66
RECQL P46063 1/20 0.66
KDM4E B2RXH2 1/20 0.66
HPGD P15428 1/20 0.66
MAPK1 P28482 1/20 0.66
PMP22 Q01453 1/20 0.66
SLC22A6 Q4U2R8 1/20 0.66
HSD17B10 Q99714 1/20 0.66
CXCL8 P10145 1/20 0.66
THPO P40225 1/20 0.66
HIF1A Q16665 1/20 0.66
ATM Q13315 1/20 0.55

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
SCHEMBL2909326 1.00 MAPT (0.66) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL2909324 1.00 MAPT (0.66) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL11303846 0.88 PTGS1 (0.56) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL11725155 0.88 MAPT (0.51) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL8459824 0.85 MAPT (0.64) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL9250859 0.84 PTGS2 (0.51) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL9250861 0.84 PTGS2 (0.51) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL9522384 0.84 ALDH1A1 (0.52) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL9522375 0.84 ALDH1A1 (0.52) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL27845337 0.83 ALDH1A1 (0.44) MAPTPTGS1PTGS2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766658-B1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEM PLASTIC (US) 2002-04-10 EP claimed
EP-0862549-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEM PLASTIC (US) 2000-05-31 EP claimed
CN-1204314-A Process for preparing optically active carboxylic acids UNION CARBIDE CHEM PLASTIC (US) 1999-01-06 CN claimed
EP-0862549-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-09-09 EP claimed
US-5739385-A OXIDIZING AN OPTICALLY ACTIVE ALDEHYDE WITH A PERACID IN THE PRESENCE OF AN AMINE AND/OR AMINE N-OXIDE CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US claimed
WO-1997014669-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO claimed
EP-0766658-A1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-09 EP claimed
WO-1996000200-A1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-04 WO claimed
US-5430194-A Maintaining solution at temperature above eutectic temperature of mixture such that solubility limit of first aldehyde is exceeded to form crystalline first aldehyde containing less of second aldehyde UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-07-04 US claimed
EP-0766658-B1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEM PLASTIC (US) 2002-04-10 EP disclosed
EP-0862549-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEM PLASTIC (US) 2000-05-31 EP disclosed