SCHEMBL28699266

SCHEMBL28699266

CC(=O)Cc1ccc(C(=O)O)c(Br)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CLCN2 P51788 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
CYP3A4 P08684 1/20 0.32
PTPRC P08575 1/20 0.31
PTPRG P23470 1/20 0.31
DCLRE1B Q9H816 1/20 0.31
CFD P00746 1/20 0.31
MYC P01106 1/20 0.31

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
SCHEMBL28684108 0.78 ALDH1A1 (0.34) TSHRCLCN2SMN1; SMN2CASP1ALDH1A1
SCHEMBL15535968 0.78 GABRP (0.46) TSHRALDH1A1L3MBTL1CYP1A2KDM4E
SCHEMBL8997789 0.76 TSHR (0.52) TSHRCLCN2SMN1; SMN2CASP1ALDH1A1
SCHEMBL23582080 0.73 CLCN2 (0.45) TSHRCLCN2SMN1; SMN2CASP1ALDH1A1
SCHEMBL11772311 0.72 ALDH1A1 (0.53) TSHRSMN1; SMN2CASP1ALDH1A1HSD17B10
SCHEMBL11785271 0.72 KDM4E (0.50) CASP1ALDH1A1HPGDCYP1A2KDM4E
SCHEMBL1674351 0.72 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2APTPRC
SCHEMBL17069843 0.72 L3MBTL1 (0.38) TSHRCLCN2ALDH1A1L3MBTL1CYP1A2
SCHEMBL7555550 0.69 TSHR (0.44) TSHRCLCN2SMN1; SMN2CASP1ALDH1A1
SCHEMBL22122753 0.69 MEP1B (0.37) SMN1; SMN2ALDH1A1HPGDL3MBTL1MEN1

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-108947941-B Preparation method of 3-oxetanone 华东师范大学 2022-02-11 CN claimed
CN-108947941-B Preparation method of 3-oxetanone 华东师范大学 2022-02-11 CN disclosed