SCHEMBL23258525

SCHEMBL23258525

CC(C)(C)OC(=O)Oc1ccc([C@@H]2CCC[C@H]2O)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.42
▸ ELANE P08246 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ PDE4B Q07343 11/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MAOB P27338 1/20 0.31
▸ AR P10275 3/20 0.31
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL23259175 0.75 KDM1A (0.41) KDM1AELANEPDE4BPDE4APDE4C
SCHEMBL23258463 0.74 ELANE (0.42) KDM1AELANEPDE4BPDE4APDE4C
SCHEMBL23259163 0.74 KDM1A (0.39) KDM1AELANEPDE4BPDE4APDE4C
SCHEMBL23258827 0.73 ELANE (0.45) KDM1AELANESLC6A2AR
SCHEMBL23258874 0.73 ELANE (0.45) KDM1AELANE
SCHEMBL23258889 0.73 KDM1A (0.36) KDM1AELANEPDE4BPDE4APDE4C
SCHEMBL23259206 0.73 QDPR (0.47) KDM1APDE4B
SCHEMBL23249891 0.72 ELANE (0.44) KDM1AELANE
SCHEMBL23258561 0.72 ELANE (0.44) KDM1AELANE
SCHEMBL27018128 0.72 ELANE (0.44) KDM1AELANE

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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