SCHEMBL7870404

SCHEMBL7870404

CCCCC(C)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.54
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.47
PLA2G4B P0C869 3/20 0.46
RARB P10826 7/20 0.45
MAPK1 P28482 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
SCHEMBL29249814 0.95 ALDH1A1 (0.63) ALDH1A1MAPTTSHRTP53PLA2G4B
SCHEMBL29361058 0.94 ALDH1A1 (0.66) ALDH1A1MAPTTSHRTP53PLA2G4B
SCHEMBL8531561 0.94 ALDH1A1 (0.66) ALDH1A1MAPTTSHRTP53PLA2G4B
SCHEMBL9341800 0.94 ALDH1A1 (0.66) ALDH1A1MAPTTSHRTP53PLA2G4B
SCHEMBL7870401 0.93 TSHR (0.56) ALDH1A1MAPTTSHRMAPK1
SCHEMBL828611 0.90 MAPT (0.53) ALDH1A1MAPTTSHRTP53PLA2G4B
SCHEMBL16366695 0.89 ALDH1A1 (0.62) ALDH1A1TSHRTP53
SCHEMBL2578004 0.89 ALDH1A1 (0.62) ALDH1A1TSHRTP53
SCHEMBL10948792 0.87 MAPT (0.50) ALDH1A1MAPTTSHRRARBMAPK1
SCHEMBL8946967 0.87 CA12 (0.59) ALDH1A1TSHRMAPK1

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
EP-0811639-B1 SOLID CATALYTIC COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO LTD (JP) 2001-08-01 EP disclosed
US-5965478-A A POLYMERIZATION CATALYST IS A REACTION PRODUCT OF A TITANIUM HALIDE, A DIESTER OF AROMATIC DICARBOXYLIC ACID AND A DIALKOXYMAGNESIUM PARTICLES HAVING A HIGH BULK DENSITY; POLYOLEFIN HAVING A HIGH STEREOREGULARITY, HIGH BULK DENSITY TOHO TITANIUM CO., LTD. (JP) 1999-10-12 US disclosed
EP-0811639-A1 SOLID CATALYTIC COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO., LTD. (JP) 1997-12-10 EP disclosed