SCHEMBL28817673

SCHEMBL28817673

CCOc1ccccc1CCC(N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC1A5 Q15758 13/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL7337861 0.87 PTGES (0.46) SLC1A5L3MBTL1GLAKDM4E
SCHEMBL13957565 0.85 NOS3 (0.52) SLC1A5L3MBTL1MAPTNPSR1GLA
SCHEMBL16147891 0.85 SLC1A5 (0.53) SLC1A5
SCHEMBL28741601 0.85 SLC1A5 (0.53) SLC1A5
SCHEMBL16147892 0.85 SLC1A5 (0.53) SLC1A5
SCHEMBL28817685 0.85 L3MBTL1 (0.44) SLC1A5L3MBTL1MAPTNPSR1GLA
SCHEMBL28741553 0.82 SLC1A5 (0.50) SLC1A5KDM4E
SCHEMBL4992883 0.78 PPARG (0.41) L3MBTL1MAPTNPSR1GLAKDM4E
SCHEMBL11796071 0.77 SLC1A5 (0.48) SLC1A5L3MBTL1MAPTNPSR1KDM4E
SCHEMBL28741627 0.77 KIF11 (0.45) —

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-114763312-B Method for inducing H halogenation in C-H on benzene ring or heterocycle through ultraviolet light 中国科学院大连化学物理研究所 2024-06-07 — — CN disclosed
CN-114763312-A Method for inducing H halogenation in C-H on benzene ring or heterocyclic ring by ultraviolet light 中国科学院大连化学物理研究所 2022-07-19 — — CN disclosed
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