SCHEMBL4093508

SCHEMBL4093508

CCC(C(=O)O)C(CC(=O)O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.48
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
EPHX1 P07099 3/20 0.36
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
FFAR1 O14842 1/20 0.32
TSHR P16473 1/20 0.31
EPHX2 P34913 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIK1 P39086 1/20 0.31

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
SCHEMBL10646074 0.87 SHBG (0.59) SHBGALDH1A1SMN1; SMN2EPHX1CYP2C9
SCHEMBL4623975 0.79 ALDH1A1 (0.42) SHBGALDH1A1TDP1SMN1; SMN2EPHX1
SCHEMBL2180612 0.78 SHBG (0.45) SHBGALDH1A1SMN1; SMN2EPHX1CYP2C9
SCHEMBL5520204 0.78 ALDH1A1 (0.52) SHBGALDH1A1SMN1; SMN2EPHX1CYP2C19
SCHEMBL27646987 0.77 SHBG (0.55) SHBGALDH1A1SMN1; SMN2EPHX1EPHX2
SCHEMBL5682022 0.77 SMN1; SMN2 (0.44) SHBGALDH1A1SMN1; SMN2EPHX1CYP2C9
SCHEMBL11453751 0.77 SHBG (0.43) SHBGALDH1A1SMN1; SMN2EPHX1CYP2C9
SCHEMBL28417752 0.75 ALDH1A1 (0.53) SHBGALDH1A1EPHX1CYP2C9CYP2C19
SCHEMBL28242419 0.74 SHBG (0.47) SHBGALDH1A1SMN1; SMN2EPHX1HIF1A
SCHEMBL28935133 0.74 ALDH1A1 (0.67) SHBGALDH1A1SMN1; SMN2EPHX1CYP2C9

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-2048166-B1 SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION MITSUI CHEMICALS INC (JP) 2014-02-26 EP disclosed
US-20090203855-A1 Solid titanium catalyst ingredient, catalyst for olefin polymerization, and method of olefin polymerization MITSUI CHEMICALS, INC. 2009-08-13 US disclosed
EP-2048166-A1 SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION Mitsui Chemicals, Inc. (JP) 2009-04-15 EP disclosed