SCHEMBL28061291

SCHEMBL28061291

C(OCC1CO1)C1CO1.COCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 9/20 0.48
TDP1 Q9NUW8 3/20 0.48
GLA P06280 1/20 0.36
PDK1 Q15118 2/20 0.35
TP53 P04637 4/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
PKM P14618 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 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
SCHEMBL20024208 0.97 TSHR (0.52) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL334658 0.92
SCHEMBL30341 0.92
SCHEMBL334659 0.92
SCHEMBL27747621 0.90 TSHR (0.61) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
Methane SCHEMBL11336685 0.89
Methoxymethane SCHEMBL1074158 0.89 TSHR (0.59) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL16809957 0.89 ALDH1A1 (0.50) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL20024210 0.87 TSHR (0.44) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL3660412 0.86 ALDH1A1 (0.48) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622802-B Catalytic component, catalyst for ethylene polymerization and preparation method thereof 中国石油化工股份有限公司 2017-12-19 CN claimed
CN-105622802-A Catalyst component for ethylene polymerization reaction, catalyst, and preparation method of catalyst component CHINA PETROLEUM & CHEM CORP 2016-06-01 CN claimed
CN-105622802-B Catalytic component, catalyst for ethylene polymerization and preparation method thereof 中国石油化工股份有限公司 2017-12-19 CN disclosed
CN-105622802-A Catalyst component for ethylene polymerization reaction, catalyst, and preparation method of catalyst component CHINA PETROLEUM & CHEM CORP 2016-06-01 CN disclosed