SCHEMBL23258503

SCHEMBL23258503

CC(C)(C)OC(=O)Oc1cc(C2CC3CC3C2)cccc1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.37
▸ ELANE P08246 1/20 0.35
▸ MAOB P27338 1/20 0.33
▸ PDE4B Q07343 3/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ MGLL Q99685 2/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ PDE4A P27815 2/20 0.30
▸ PDE4C Q08493 2/20 0.30
▸ PDE4D Q08499 2/20 0.30

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
SCHEMBL23258498 0.86 SLC6A4 (0.35) KDM1AELANEMAOBPDE4BOPRM1
SCHEMBL23259175 0.83 KDM1A (0.41) KDM1AELANEPDE4BPDE4APDE4C
SCHEMBL23258884 0.82 HDAC4 (0.35) KDM1AELANEMAOBPDE4BMGLL
SCHEMBL23258720 0.80 MGLL (0.33) KDM1AELANEMAOBPDE4BMGLL
SCHEMBL23259212 0.76 CYP3A4 (0.44) ELANEHDAC4HDAC2HDAC8
SCHEMBL23259227 0.74 ELANE (0.36) KDM1AELANEMAOBGPR119
SCHEMBL23258871 0.74 ELANE (0.41) ELANE
SCHEMBL23249868 0.74 ELANE (0.41) ELANE
SCHEMBL23259167 0.73 PARP1 (0.44) ELANEHDAC4HDAC2HDAC8
SCHEMBL23250721 0.69 HDAC4 (0.49) MAOBOPRM1OPRD1HDAC4HDAC2

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
WO-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 — — WO disclosed
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