SCHEMBL28389688

SCHEMBL28389688

C(OCC1CO1)C1CO1.CCc1cc(O)c(O)c(O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 7/20 0.39
PRKCE Q02156 3/20 0.39
MYLK Q15746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
PRKCG P05129 1/20 0.39
MAPT P10636 1/20 0.39
PRKCA P17252 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.38
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5605483 0.86 TSHR (0.40) SMN1; SMN2ALDH1A1TDP1MEN1MAPT
SCHEMBL1627008 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1MEN1MAPT
SCHEMBL1314079 0.83 TSHR (0.39) SMN1; SMN2ALDH1A1PRKCEMYLKTDP1
SCHEMBL16828361 0.78 TYR (0.42) SMN1; SMN2TDP1MEN1MAPTKMT2A
Ethane SCHEMBL28184482 0.78 TSHR (0.42) SMN1; SMN2ALDH1A1TDP1MEN1MAPT
SCHEMBL27754020 0.77 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL3397478 0.76 ALOX15 (0.48) ALDH1A1PRKCEMYLKTDP1MEN1
SCHEMBL17667216 0.76 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
Gallic Acid SCHEMBL28896893 0.74 KDM4E (0.55) SMN1; SMN2ALDH1A1TDP1MAPTAPEX1
SCHEMBL11673770 0.74 XDH (0.39) SMN1; SMN2ALDH1A1TSHRMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111066177-B Positive electrode for lithium secondary battery and method for producing same 株式会社LG新能源 2023-03-28 CN claimed
CN-111066177-A Positive electrode for lithium secondary battery and method for producing same 株式会社LG化学 2020-04-24 CN claimed
CN-111066177-B Positive electrode for lithium secondary battery and method for producing same 株式会社LG新能源 2023-03-28 CN disclosed
CN-113614146-A Polymer binder and all-solid-state secondary battery comprising same 帝人株式会社 2021-11-05 CN disclosed
CN-111066177-A Positive electrode for lithium secondary battery and method for producing same 株式会社LG化学 2020-04-24 CN disclosed