SCHEMBL5497848

SCHEMBL5497848

CC(C)(C)CCCOC(=O)c1ccccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
TDP1 Q9NUW8 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP3A4 P08684 2/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
ALDH1A1 P00352 9/20 0.55
LMNA P02545 1/20 0.55
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL4360501 0.94 TSHR (0.66) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5269096 0.90 ALDH1A1 (0.56) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL31384493 0.89 ALDH1A1 (0.71) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29884490 0.89 TSHR (0.67) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4368357 0.89 TSHR (0.67) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27446307 0.85 TSHR (0.67) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5709795 0.85 TSHR (0.70) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL1395556 0.83 ALDH1A1 (0.71) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4358182 0.83 ALDH1A1 (0.63) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28188145 0.83 ALDH1A1 (0.71) TSHRTDP1L3MBTL1CYP3A4MAPK1

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-1869091-A1 METHOD FOR PRODUCING A PROPYLENE POLYMER HAVING A VERY HIGH MELT FLOWABILITY Samsung Total Petrochemicals Co. Ltd. (KR) 2007-12-26 EP claimed
WO-2006104297-A1 METHOD FOR PRODUCING A PROPYLENE POLYMER HAVING A VERY HIGH MELT FLOWABILITY SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2006-10-05 WO claimed
EP-1869091-A1 METHOD FOR PRODUCING A PROPYLENE POLYMER HAVING A VERY HIGH MELT FLOWABILITY Samsung Total Petrochemicals Co. Ltd. (KR) 2007-12-26 EP disclosed
WO-2006104297-A1 METHOD FOR PRODUCING A PROPYLENE POLYMER HAVING A VERY HIGH MELT FLOWABILITY SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2006-10-05 WO disclosed