SCHEMBL9370952

SCHEMBL9370952

O=C(O)C1(O)Cc2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 5/20 0.42
ALOX12 P18054 2/20 0.42
RECQL P46063 2/20 0.42
TSHR P16473 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CA7 P43166 1/20 0.42
BACE1 P56817 1/20 0.42
CA9 Q16790 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
THRB P10828 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.39

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
SCHEMBL12083294 0.84 L3MBTL1 (0.44) L3MBTL1LMNAHTTNPSR1ALDH1A1
SCHEMBL29594572 0.82 SIGMAR1 (0.47) L3MBTL1LMNAHTTNPSR1ALDH1A1
SCHEMBL28234108 0.80 LMNA (0.58) L3MBTL1LMNAHTTNPSR1ALOX12
SCHEMBL29940790 0.80 ALDH1A1 (0.45) L3MBTL1LMNAHTTNPSR1ALDH1A1
SCHEMBL12083380 0.80 ALDH1A1 (0.45) L3MBTL1LMNAHTTNPSR1ALDH1A1
SCHEMBL28055380 0.80 ALDH1A1 (0.45) L3MBTL1LMNAHTTNPSR1ALDH1A1
SCHEMBL28235061 0.79 TP53 (0.41) L3MBTL1LMNAHTTNPSR1ALDH1A1
SCHEMBL28899599 0.78 LMNA (0.40) L3MBTL1LMNAHTTNPSR1TSHR
SCHEMBL28151824 0.78 L3MBTL1 (0.49) L3MBTL1LMNAHTTNPSR1ALDH1A1
SCHEMBL9488212 0.78 L3MBTL1 (0.49) L3MBTL1LMNAHTTNPSR1ALDH1A1

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-110372506-B Novel method for realizing visible light catalytic asymmetric oxidation by utilizing microreactor 大连理工大学 2022-04-15 CN disclosed
EP-0425946-B1 Iso- and heterocyclic phenylsulphonamides BAYER AG (DE) 1994-08-17 EP disclosed