SCHEMBL28440219

SCHEMBL28440219

CC(C)(C)OP(=O)(OCOc1cc(CC(N)C(=O)O)ccc1O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 9/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NR1I2 O75469 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ BLM P54132 1/20 0.42

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
SCHEMBL28897405 0.91 SLC7A5 (0.49) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL17685874 0.89 ALDH1A1 (0.42) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL17685873 0.89 ALDH1A1 (0.42) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL17693637 0.84 SLC7A5 (0.56) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL20921973 0.84 SLC7A5 (0.56) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL17685890 0.81 ALDH1A1 (0.44) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL17685889 0.81 ALDH1A1 (0.44) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL17693595 0.77 ALOX15 (0.43) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL18309625 0.77 ALDH1A1 (0.44) SLC7A5PPARG
SCHEMBL20921829 0.76 SLC7A5 (0.57) SLC7A5KDM4EUSP2EGFRLCK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111494395-B Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2024-06-21 — — CN disclosed
CN-111454290-B Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2022-12-23 — — CN disclosed
CN-111362980-B Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2022-10-18 — — CN disclosed
CN-111494395-A Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2020-08-07 — — CN disclosed
CN-111454290-A Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2020-07-28 — — CN disclosed
CN-111362980-A Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2020-07-03 — — CN disclosed
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