SCHEMBL16732011

SCHEMBL16732011

CCC(C1CCCC1)C(C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.58
EPHX1 P07099 3/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
IDO1 P14902 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL8330847 0.98 SHBG (0.61) SHBGEPHX1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8784689 0.89 SHBG (0.55) SHBGEPHX1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11070281 0.84 SHBG (0.50) SHBGALDH1A1L3MBTL1TSHR
SCHEMBL11226733 0.84 SHBG (0.50) SHBGALDH1A1L3MBTL1TSHR
SCHEMBL27644093 0.80 SHBG (0.54) SHBGEPHX1ALDH1A1SMN1; SMN2
SCHEMBL1227604 0.80 SHBG (0.59) SHBGEPHX1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10646074 0.80 SHBG (0.59) SHBGEPHX1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8330418 0.79 SHBG (0.44) SHBGEPHX1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL288891 0.79 SHBG (0.57) SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL16732219 0.79 SHBG (0.42) SHBGEPHX1ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2876118-A1 METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER Toho Titanium CO., LTD. (JP) 2015-05-27 EP disclosed