SCHEMBL28279384

SCHEMBL28279384

CCCCOC(=O)C1(OC=O)CCCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.41
PPARG P37231 3/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10083062 0.72 PPARG (0.46) PPARGALDH1A1TSHRTDP1L3MBTL1
SCHEMBL5510274 0.69 GAA (0.38) ALDH1A1GAASMN1; SMN2
SCHEMBL10083061 0.68 PPARG (0.43) SIGMAR1PPARGALDH1A1TSHRTDP1
SCHEMBL6060498 0.68 SMN1; SMN2 (0.40) ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL3104107 0.67 ALDH1A1 (0.47) ALDH1A1TSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL28546744 0.67 SLC18A3 (0.42) SIGMAR1PPARGALDH1A1TSHRTDP1
SCHEMBL14836084 0.67 ALDH1A1 (0.43) SIGMAR1ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL20505385 0.65 KDM4E (0.50) ALDH1A1TSHRTDP1L3MBTL1MEN1
SCHEMBL14967737 0.65 TSHR (0.45) PPARGALDH1A1TSHRTDP1L3MBTL1
SCHEMBL1196367 0.65 PPARG (0.59) PPARGALDH1A1TSHRTDP1L3MBTL1

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-109553712-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
CN-109553705-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed