SCHEMBL6618712

SCHEMBL6618712

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAOB P27338 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 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
SCHEMBL6755866 0.83 KDM4E (0.58) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL4752091 0.81 KDM4E (0.54) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL17312023 0.81 KDM4E (0.49) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL8107317 0.81 KDM4E (0.50) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL6621295 0.79 HPGD (0.46) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL13666895 0.77 KDM4E (0.62) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL6620676 0.77 MAPT (0.51) KDM4EMAPTALDH1A1HPGDMAOB
SCHEMBL8582319 0.76 KDM4E (0.59) KDM4EMAPTHTTHSD17B10GAA
SCHEMBL6623814 0.76 ALDH1A1 (0.45) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL27367553 0.75 KDM4E (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 — — EP disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 — — WO disclosed
Send feedback