SCHEMBL23258463

SCHEMBL23258463

CC(C)(C)OC(=O)Oc1ccc(OC2CCCC2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.42
▸ ACACB O00763 4/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ PDE4B Q07343 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ ACACA Q13085 1/20 0.38

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
SCHEMBL23258511 0.79 ELANE (0.50) ELANEPARP10KDM1AALDH1A1LMNA
SCHEMBL23258832 0.75 PDE4B (0.40) ELANEPDE4BPDE4APDE4CPDE4D
SCHEMBL23258874 0.75 ELANE (0.45) ELANEKDM1AALDH1A1GPR119LMNA
SCHEMBL23258827 0.75 ELANE (0.45) ELANEKDM1AALDH1A1LMNAMAPT
SCHEMBL23258611 0.75 ELANE (0.46) ELANEACACBPARP10KDM1AALDH1A1
SCHEMBL23258808 0.75 ELANE (0.46) ELANEPARP10ALDH1A1LMNAMAPT
SCHEMBL23258525 0.74 KDM1A (0.42) ELANEKDM1APDE4BPDE4APDE4C
SCHEMBL23258561 0.74 ELANE (0.44) ELANEKDM1AMAPT
SCHEMBL23249891 0.74 ELANE (0.44) ELANEKDM1ALMNAMAPT
SCHEMBL27018128 0.74 ELANE (0.44) ELANEKDM1AALDH1A1MAPT

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
Send feedback