SCHEMBL29115355

SCHEMBL29115355

OCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1.OCCOc1ccc(C2(c3ccc(OCCO)c(C4CCCCC4)c3)c3ccccc3-c3ccccc32)cc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
PTGDR2 Q9Y5Y4 11/20 0.41
C5AR1 P21730 2/20 0.41
PTGDR Q13258 5/20 0.38
PTGER2 P43116 1/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL382823 0.95 SLC6A9 (0.43) SLC6A9PTGDR2PTGDRPTGER2
SCHEMBL29445698 0.95 SLC6A9 (0.43) SLC6A9PTGDR2PTGDRPTGER2
SCHEMBL29112939 0.86 SLC6A9 (0.39) SLC6A9PTGDR2C5AR1PTGDRPTGER2
SCHEMBL29450638 0.85 HTR7 (0.43) SLC6A9PTGDR2KDM4ESMN1; SMN2LMNA
SCHEMBL29360927 0.85 HTR7 (0.43) SLC6A9PTGDR2KDM4ESMN1; SMN2LMNA
SCHEMBL31734575 0.85 HTR7 (0.43) SLC6A9PTGDR2KDM4ESMN1; SMN2LMNA
SCHEMBL383247 0.85 HTR7 (0.43) SLC6A9PTGDR2KDM4ESMN1; SMN2LMNA
SCHEMBL26983400 0.81 MEN1 (0.44) SLC6A9PTGDR2KDM4ESMN1; SMN2LMNA
SCHEMBL21215140 0.80 ADRB2 (0.47) KDM4ESMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL29441934 0.80 ADRB2 (0.47) KDM4ESMN1; SMN2LMNAALDH1A1MEN1

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-115703883-A Catalyst and preparation method of polycarbonate 华为技术有限公司 2023-02-17 CN claimed
CN-115703883-A Catalyst and preparation method of polycarbonate 华为技术有限公司 2023-02-17 CN disclosed