SCHEMBL28668124

SCHEMBL28668124

COC(=O)c1ccc(B(O)O)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
PTK2B Q14289 1/20 0.43
NCOA1 Q15788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL27931718 0.80 TSHR (0.55) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL29094948 0.75 FABP4 (0.54) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL16009269 0.75 BRD4 (0.49) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL29955686 0.75 BRD4 (0.49) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL6990716 0.74 FABP4 (0.47) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL14134529 0.74 MAPT (0.56) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL4957139 0.73 FABP4 (0.56) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL129359 0.73 TSHR (0.59) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL29402736 0.73 TSHR (0.59) LMNAMAPTALDH1A1MEN1KMT2A
Dimethyl Phthalate SCHEMBL3686830 0.73 TSHR (0.63) LMNAMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113788955-B Metal organic framework catalyst, preparation method and application 华中科技大学同济医学院附属协和医院 2022-09-23 CN disclosed
CN-113957094-A Delivery system with enhanced gene editing efficiency, preparation method and application 华中科技大学同济医学院附属协和医院 2022-01-21 CN disclosed
CN-113788955-A Metal organic framework catalyst, preparation method and application 华中科技大学同济医学院附属协和医院 2021-12-14 CN disclosed