SCHEMBL30946599

SCHEMBL30946599

COC(=O)[C@@H](N)Cc1ccc(OP(=O)(O)O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ GRB2 P62993 6/20 0.44
▸ LCK P06239 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NR1I2 O75469 1/20 0.42
▸ PPARG P37231 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
SCHEMBL17685877 1.00 ALDH1A1 (0.52) ALDH1A1GRB2LCKALOX15ALOX12
SCHEMBL17685876 1.00 ALDH1A1 (0.52) ALDH1A1GRB2LCKALOX15ALOX12
SCHEMBL7295205 0.89 ALOX15 (0.43) ALDH1A1GRB2LCKALOX15ALOX12
SCHEMBL17693592 0.88 ALOX15 (0.47) ALDH1A1GRB2LCKALOX15ALOX12
SCHEMBL7292923 0.88 ALOX15 (0.42) ALDH1A1GRB2LCKALOX15ALOX12
SCHEMBL17685888 0.85 ALDH1A1 (0.48) ALDH1A1GRB2LCKALOX15ALOX12
SCHEMBL17685887 0.85 ALDH1A1 (0.48) ALDH1A1GRB2LCKALOX15ALOX12
SCHEMBL23069553 0.85 ALOX15 (0.47) GRB2LCKALOX15ALOX12KDM4E
Foslevodopa SCHEMBL17685900 0.85 SLC7A5 (0.61) LCKALOX15KDM4EUSP2EGFR
SCHEMBL23069552 0.85 ALOX15 (0.47) GRB2LCKALOX15ALOX12KDM4E

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 1 patent. 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
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