SCHEMBL5079627

SCHEMBL5079627

CCc1cc(C(=O)OCC(C)C)c(C(=O)OCC(C)C)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
GAA P10253 6/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 3/20 0.42
MAPT P10636 10/20 0.41
KDM4E B2RXH2 9/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALOX12 P18054 1/20 0.40
HPGD P15428 5/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL5078856 0.88 ALDH1A1 (0.47) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL5082925 0.88 ALDH1A1 (0.50) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL5082919 0.86 ALDH1A1 (0.45) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL5079623 0.81 ALDH1A1 (0.53) ALDH1A1GAATSHRMAPK1KMT2A
SCHEMBL5077042 0.80 ALDH1A1 (0.51) ALDH1A1GAATSHRKMT2AMAPT
SCHEMBL5080642 0.80 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AMAPTKDM4E
SCHEMBL5080682 0.80 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AMAPTKDM4E
SCHEMBL4628659 0.75 TSHR (0.61) ALDH1A1TSHRMAPK1KMT2AMAPT
SCHEMBL827863 0.74 TSHR (0.70) ALDH1A1TSHRMAPK1KMT2AMAPT
SCHEMBL9045800 0.73 NPSR1 (0.46) ALDH1A1GAATSHRMAPK1KMT2A

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
CN-1871266-B Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA 2012-05-09 CN disclosed
US-7371802-B2 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2008-05-13 US disclosed
US-20070106039-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2007-05-10 US disclosed