SCHEMBL2029448

SCHEMBL2029448

CCCC(CCC)(C(=O)OCC)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
PIN1 Q13526 1/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
HSD11B1 P28845 1/20 0.44
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
MMP8 P22894 1/20 0.40
HTR7 P34969 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL27182612 0.82 MMP13 (0.49) MMP9MMP13TSHRHSD11B1SMN1; SMN2
SCHEMBL14838954 0.81 MMP1 (0.48) MMP9MMP13PIN1KMT2ATSHR
SCHEMBL1464318 0.81 HSD11B1 (0.51) PIN1KMT2ATSHRHTTMEN1
SCHEMBL31527980 0.80 MMP13 (0.47) MMP9MMP13TSHRHSD11B1SMN1; SMN2
SCHEMBL13660327 0.80 PIN1 (0.49) PIN1KMT2ATSHRHTTMEN1
SCHEMBL6928552 0.76 MMP1 (0.54) MMP9MMP13KMT2AMEN1ALDH1A1
SCHEMBL6928756 0.74 MMP13 (0.57) MMP9MMP13HTTSMN1; SMN2ALDH1A1
SCHEMBL9850245 0.74 POLB (0.44) PIN1KMT2ATSHRHTTMEN1
SCHEMBL1464437 0.73 MMP1 (0.45) MMP9MMP13PIN1KMT2ATSHR
SCHEMBL5158536 0.72 PSIP1 (0.47) MMP9MMP13TSHRHSD11B1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152480-A1 Catalysts for Polymerizing Olefins and Method Thereof BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2011-06-23 US disclosed
US-20110152480-A1 Catalysts for Polymerizing Olefins and Method Thereof BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2011-06-23 US disclosed
US-20110152480-A1 Catalysts for Polymerizing Olefins and Method Thereof BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2011-06-23 US disclosed
EP-2331589-A1 CATALYSTS FOR POLYMERIZING OLEFINS AND METHOD THEREOF Basell Poliolefine Italia S.R.L. (IT) 2011-06-15 EP disclosed
WO-2010026184-A1 CATALYSTS FOR POLYMERIZING OLEFINS AND METHOD THEREOF BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-03-11 WO disclosed
WO-2010026184-A1 CATALYSTS FOR POLYMERIZING OLEFINS AND METHOD THEREOF BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-03-11 WO disclosed