SCHEMBL29609097

SCHEMBL29609097

Cc1cc(C2(c3ccc(OCCO)c(C)c3)c3ccc(-c4ccccc4)cc3-c3cc(-c4ccccc4)ccc32)ccc1OCCO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.44
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PPARD Q03181 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
RARA P10276 3/20 0.40
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
MCHR1 Q99705 1/20 0.39
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22187702 1.00 SLC6A9 (0.44) SLC6A9PPARGPPARAPPARDESR1
SCHEMBL29609205 0.90 SLC6A9 (0.41) SLC6A9PPARGPPARAPPARDESR1
SCHEMBL22187695 0.90 SLC6A9 (0.41) SLC6A9PPARGPPARAPPARDESR1
SCHEMBL22187717 0.90 ESR1 (0.39) SLC6A9PPARGPPARAPPARDESR1
SCHEMBL22187732 0.89 SLC6A9 (0.49) SLC6A9RARARARBRARGHTR7
SCHEMBL29608012 0.89 SLC6A9 (0.49) SLC6A9RARARARBRARGHTR7
SCHEMBL346226 0.86 ESR1 (0.56) PPARGPPARAPPARDESR1ESR2
SCHEMBL29385692 0.86 ESR1 (0.56) PPARGPPARAPPARDESR1ESR2
SCHEMBL30314588 0.86 ESR1 (0.56) PPARGPPARAPPARDESR1ESR2
SCHEMBL22187644 0.84 SLC6A9 (0.41) SLC6A9PPARGPPARAPPARDESR1

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