SCHEMBL29531995

SCHEMBL29531995

O=C1OC(O)c2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PDK2 Q15119 1/20 0.34

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
SCHEMBL3762755 1.00 MAOB (0.40) MAOBCA1CA2CA7CA9
SCHEMBL21307523 0.85 CA1 (0.39) MAOBCA1CA2CA7CA9
SCHEMBL23013822 0.79 CYP2C19 (0.42) MAPT
SCHEMBL2532868 0.78 S100A4 (0.41) CA1CA2CA7CA9ALDH1A1
SCHEMBL19333344 0.78 MAOB (0.40) MAOB
SCHEMBL87581 0.78 S100A4 (0.41) ALDH1A1GAAKMT2AKDM4EMEN1
SCHEMBL18705382 0.78 S100A4 (0.41) CA1CA2CA7CA9ALDH1A1
SCHEMBL23909108 0.78 MAOB (0.40) MAOBCA1CA2CA7CA9
SCHEMBL24223347 0.78 MAOB (0.40) MAOB
SCHEMBL20354665 0.78 MAOB (0.40) MAOB

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-114276319-B Synthesis method of loratidine intermediate 滁州学院 2023-11-03 CN claimed
CN-114276319-A Synthetic method of Laolatinib intermediate 滁州学院 2022-04-05 CN claimed
CN-114276319-B Synthesis method of loratidine intermediate 滁州学院 2023-11-03 CN disclosed
CN-114276319-B Synthesis method of loratidine intermediate 滁州学院 2023-11-03 CN disclosed
CN-114276319-A Synthetic method of Laolatinib intermediate 滁州学院 2022-04-05 CN disclosed
CN-114276319-A Synthetic method of Laolatinib intermediate 滁州学院 2022-04-05 CN disclosed