SCHEMBL27367553

SCHEMBL27367553

CC(=O)Oc1c(P)c(C)cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 3/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37

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
SCHEMBL4752091 0.81 KDM4E (0.54) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL27615297 0.77 KDM4E (0.51) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL453345 0.77 KDM4E (0.58) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL29356413 0.77 KDM4E (0.58) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL6755866 0.76 KDM4E (0.58) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL9538819 0.76 KDM4E (0.50) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL8582319 0.76 KDM4E (0.59) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL6618712 0.75 KDM4E (0.49) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL17312023 0.75 KDM4E (0.49) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL8107317 0.74 KDM4E (0.50) KDM4EMAPTHTTHSD17B10GAA

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-1053392-C Methyl alcohol carbonylation homogeneous rhodium catalyst and its preparing method and use CHINESE ACAD INST CHEMISTRY (CN) 2000-06-14 — — CN disclosed
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