SCHEMBL28553022

SCHEMBL28553022

CCc1cccc(C(=O)OCCCNCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NMT2 O60551 1/20 0.49
▸ NMT1 P30419 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ S1PR2 O95136 1/20 0.49
▸ S1PR1 P21453 1/20 0.49
▸ S1PR3 Q99500 1/20 0.49
▸ LPAR2 Q9HBW0 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SCN8A Q9UQD0 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ P4HB P07237 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ NR1I2 O75469 1/20 0.47

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
SCHEMBL8356618 0.88 TDP1 (0.64) SMN1; SMN2KDM4ES1PR2S1PR1S1PR3
SCHEMBL28983266 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NMT2NMT1KDM4ES1PR2
SCHEMBL29016000 0.85 RAB9A (0.50) SMN1; SMN2MAPK1SCN8ATDP1ALDH1A1
SCHEMBL30375449 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NMT2NMT1KDM4ES1PR2
SCHEMBL14793682 0.81 SMN1; SMN2 (0.48) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL15888238 0.81 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1TDP1ALDH1A1CYP3A4
SCHEMBL10706157 0.81 L3MBTL1 (0.57) SMN1; SMN2MAPK1TDP1ALDH1A1CYP3A4
SCHEMBL13291593 0.80 CYP4F2 (0.62) SMN1; SMN2ALDH1A1MEN1KMT2ACYP4F2
SCHEMBL15888179 0.79 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1TDP1ALDH1A1CYP3A4
SCHEMBL27542739 0.78 CYP4F2 (0.54) SMN1; SMN2TDP1ALDH1A1CYP3A4PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759673-A Catalyst for olefin polymerization, catalyst component and application thereof 中国石油化工股份有限公司 2021-05-07 — — CN claimed
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