SCHEMBL5147553

SCHEMBL5147553

CCC(C)COS(=O)(=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.43
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
FAAH O00519 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40
CA5A P35218 1/20 0.40
HTT P42858 2/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.37
HSD17B10 Q99714 2/20 0.37
FPR1 P21462 1/20 0.37
MMP1 P03956 1/20 0.37

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
SCHEMBL10486338 0.85 KMT2A (0.49) KMT2AHPGDCA1CA2CA9
SCHEMBL10916650 0.84 KMT2A (0.52) KMT2AHPGDCA1CA2CA9
SCHEMBL4753848 0.81 KMT2A (0.49) KMT2AHPGDCA1CA2CA9
SCHEMBL9765840 0.81 KMT2A (0.45) KMT2AHPGDCA1CA2CA9
Benzene SCHEMBL28852658 0.78 KMT2A (0.57) KMT2AHPGDCA1CA2CA9
SCHEMBL354454 0.78 KMT2A (0.57) KMT2AHPGDCA1CA2CA9
SCHEMBL4990043 0.77 KMT2A (0.52) KMT2AHPGDCA1CA2CA9
SCHEMBL27801072 0.77 KMT2A (0.52) KMT2AHPGDCA1CA2CA9
SCHEMBL7786030 0.77 ALDH1A1 (0.49) KMT2AHPGDCA2PRSS1PRSS2
SCHEMBL5668420 0.76 PSIP1 (0.44) FFAR1ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288617-B2 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2007-10-30 US disclosed
EP-1381639-B1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS (DE) 2004-09-08 EP disclosed
US-20040135131-A1 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2004-07-15 US 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