SCHEMBL29609205

SCHEMBL29609205

Cc1cc(C2(c3ccc(OCCO)c(C)c3)c3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc32)ccc1OCCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 2/20 0.41
PPARD Q03181 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
MCHR1 Q99705 1/20 0.37
EGFR P00533 1/20 0.37
PDK2 Q15119 2/20 0.36
CD274 Q9NZQ7 1/20 0.36
HTR7 P34969 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL22187695 1.00 SLC6A9 (0.41) SLC6A9PPARGPPARAPPARDESR1
SCHEMBL29609097 0.90 SLC6A9 (0.44) SLC6A9PPARGPPARAPPARDESR1
SCHEMBL22187702 0.90 SLC6A9 (0.44) SLC6A9PPARGPPARAPPARDESR1
SCHEMBL22187733 0.90 ESR1 (0.39) SLC6A9PPARGPPARAPPARDESR1
SCHEMBL22187689 0.89 SLC6A9 (0.46) SLC6A9RARARARBRARGPDK2
SCHEMBL29609175 0.89 SLC6A9 (0.46) SLC6A9RARARARBRARGPDK2
SCHEMBL346226 0.86 ESR1 (0.56) PPARGPPARAPPARDESR1ESR2
SCHEMBL30314588 0.86 ESR1 (0.56) PPARGPPARAPPARDESR1ESR2
SCHEMBL29385692 0.86 ESR1 (0.56) PPARGPPARAPPARDESR1ESR2
SCHEMBL27113675 0.85 SLC6A9 (0.44) SLC6A9ESR1ESR2RARARARB

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