SCHEMBL28004694

SCHEMBL28004694

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
EPHX1 P07099 2/20 0.37
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MMP8 P22894 2/20 0.33
MMP1 P03956 1/20 0.33
KIF11 P52732 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MMP2 P08253 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
SCHEMBL28004193 0.98 GRM2 (0.40) GRM2GRM3EPHX1KEAP1NFE2L2
SCHEMBL16732353 0.83 EPHX1 (0.38) EPHX1MMP8MMP1GAARAB9A
SCHEMBL17376841 0.82 GRM2 (0.38) GRM2GRM3EPHX1KEAP1NFE2L2
SCHEMBL16732029 0.81 EPHX1 (0.35) EPHX1MMP8MMP1GAARAB9A
SCHEMBL16732217 0.81 L3MBTL1 (0.38) EPHX1KEAP1NFE2L2MMP8MMP1
SCHEMBL16732131 0.80 EPHX1 (0.33) EPHX1
SCHEMBL4414462 0.79 MMP8 (0.44) MMP8GAASMN1; SMN2ALDH1A1
SCHEMBL16732199 0.79 RAB9A (0.37) EPHX1MMP8RAB9AALDH1A1
SCHEMBL28004707 0.78 CCR2 (0.38) GRM2GRM3EPHX1KEAP1NFE2L2
SCHEMBL16732088 0.78 TSHR (0.30) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104640886-A PRODUCTION METHOD FOR SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFINS, CATALYST FOR POLYMERIZING OLEFINS, AND PRODUCTION METHOD FOR POLYMERIZED OLEFINS TOHO TITANIUM CO LTD 2015-05-20 CN disclosed
CN-104470953-A Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer TOHO TITANIUM CO LTD 2015-03-25 CN disclosed