SCHEMBL6740786

SCHEMBL6740786

CCOC(=O)C(Cc1ccccc1)(C(=O)OCC)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MMP8 P22894 2/20 0.56
RECQL P46063 1/20 0.56
PIN1 Q13526 2/20 0.47
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
PPID Q08752 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNH2 Q12809 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
MRGPRX2 Q96LB1 1/20 0.42
CHRM3 P20309 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL28260493 0.86 ALDH1A1 (0.55) ALDH1A1MMP8RECQLPIN1LMNA
SCHEMBL6741847 0.85 ALDH1A1 (0.51) ALDH1A1MMP8RECQLPIN1LMNA
SCHEMBL28556726 0.85 TSHR (0.49) ALDH1A1MMP8RECQLLMNAL3MBTL1
SCHEMBL6741299 0.84 CYP3A4 (0.54) ALDH1A1MMP8RECQLLMNASMN1; SMN2
SCHEMBL28261808 0.82 ALDH1A1 (0.55) ALDH1A1MMP8RECQLPIN1LMNA
SCHEMBL11732965 0.82 ALDH1A1 (0.39) ALDH1A1MMP8RECQLLMNAHTR2A
Malonic Acid SCHEMBL6829250 0.82 MAPT (0.43) ALDH1A1MMP8RECQLLMNASMN1; SMN2
SCHEMBL28570735 0.81 ELANE (0.41) ALDH1A1MMP8RECQLSMN1; SMN2L3MBTL1
SCHEMBL19745438 0.80 MMP8 (0.46) ALDH1A1MMP8RECQLPIN1LMNA
SCHEMBL4419400 0.80 ALDH1A1 (0.62) ALDH1A1MMP8RECQLPIN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042372-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP disclosed
US-6699814-B2 CATALYST COMPRISING PRODUCT OF REACTION BETWEEN SOLID CATALYST COMPONENT COMPRISING MAGNESIUM, TITANIUM, HALOGEN AND HETEROATOM CONTAINING MALONATE, ALKYLALUMINUM COMPOUND AND, OPTIONALLY, ONE OR MORE ELECTRON-DONOR COMPOUNDS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-03-02 US disclosed
US-6689850-B2 Process for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-02-10 US disclosed
US-6605562-B1 Comprising TiCl4, MgCl2 and an electron donor compound selected from heteroatom containing esters of malonic acids; heteroatoms are preferably selected from F, Cl, Br, and Si BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-08-12 US disclosed