SCHEMBL6825331

SCHEMBL6825331

CCC(C)COS(=O)(=O)c1cccc(C)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.33
TRPA1 O75762 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN4A P35499 5/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR1 O14842 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL5147546 0.85 ALDH1A1 (0.41) ALDH1A1GAAKMT2AMEN1ESR1
SCHEMBL10455998 0.74 ALDH1A1 (0.38) ALDH1A1GAAKMT2AMEN1ESR1
SCHEMBL10486326 0.71 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMEN1ESR1
SCHEMBL3912338 0.71 MEN1 (0.37) ALDH1A1GAAKMT2AMEN1ESR1
SCHEMBL5668420 0.70 PSIP1 (0.44) ALDH1A1MAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL10916647 0.70 MEN1 (0.41) ALDH1A1GAAKMT2AMEN1ESR1
SCHEMBL6431507 0.69 CA2 (0.41) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL140993 0.69 KMT2A (0.43) ALDH1A1GAAKMT2AMEN1ESR1
SCHEMBL4202226 0.69 CA2 (0.41) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL4202231 0.69 CA2 (0.41) ALDH1A1GAAKMT2AMEN1MAPT

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-1381639-B1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS (DE) 2004-09-08 EP disclosed
EP-1381639-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-01-21 EP disclosed
WO-2002077060-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-10-03 WO disclosed