SCHEMBL30354558

SCHEMBL30354558

CCC(=O)OCCC=Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HTT P42858 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
ELANE P08246 1/20 0.36
GBA1 P04062 1/20 0.36
NAAA Q02083 1/20 0.36
RECQL P46063 1/20 0.35
CYP4Z1 Q86W10 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL29000293 0.84 DGKA (0.49) MAPTALDH1A1CYP4Z1
SCHEMBL28557950 0.84 SMN1; SMN2 (0.40) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL28557957 0.84 ALDH1A1 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL28549171 0.84 TDP1 (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28558624 0.83 DGKA (0.51) MAPTALDH1A1LMNACYP4Z1
SCHEMBL28549175 0.81 TDP1 (0.37) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL29049844 0.79 TDP1 (0.56) KDM4EGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL29000350 0.75 GAA (0.50) GAAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28816178 0.74 MEN1 (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
Bicarbonate SCHEMBL10710256 0.72 ALDH1A1 (0.41) KDM4EMAPTALDH1A1MEN1KMT2A

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-112759672-B Solid catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2023-04-11 CN claimed
CN-112759528-B Imine ester compound and preparation method thereof 中国石油化工股份有限公司 2023-10-13 CN disclosed
CN-112759676-B Solid catalyst component for preparing polyolefin, catalyst and application thereof 中国石油化工股份有限公司 2023-08-15 CN disclosed
CN-112759672-B Solid catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2023-04-11 CN disclosed