SCHEMBL29608012

SCHEMBL29608012

OCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)ccc32)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.49
RARB P10826 6/20 0.44
RARG P13631 6/20 0.44
RARA P10276 4/20 0.44
HTR7 P34969 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL22187732 1.00 SLC6A9 (0.49) SLC6A9RARBRARGRARAHTR7
SCHEMBL22187681 0.92 SLC6A9 (0.42) SLC6A9RARBRARGRARAHTR7
SCHEMBL22187689 0.90 SLC6A9 (0.46) SLC6A9RARBRARGRARAHTR7
SCHEMBL29609175 0.90 SLC6A9 (0.46) SLC6A9RARBRARGRARAHTR7
SCHEMBL27113675 0.89 SLC6A9 (0.44) SLC6A9RARBRARGRARAHTR7
SCHEMBL22187702 0.89 SLC6A9 (0.44) SLC6A9RARBRARGRARAHTR7
SCHEMBL29609097 0.89 SLC6A9 (0.44) SLC6A9RARBRARGRARAHTR7
SCHEMBL31734575 0.88 HTR7 (0.43) SLC6A9HTR7PTGDR2KDM4EALDH1A1
SCHEMBL383247 0.88 HTR7 (0.43) SLC6A9HTR7PTGDR2KDM4EALDH1A1
SCHEMBL29360927 0.88 HTR7 (0.43) SLC6A9HTR7PTGDR2KDM4EALDH1A1

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-112175178-B Polycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2023-04-11 CN disclosed
WO-2022077450-A1 POLYCARBONATE, PREPARATION METHOD THEREFOR AND USE THEREOF 万华化学集团股份有限公司 2022-04-21 WO disclosed