SCHEMBL23258808

SCHEMBL23258808

CCOc1ccc(OC(=O)OC(C)(C)C)c(=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.41
▸ NQO1 P15559 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PLA2G4B P0C869 1/20 0.38
▸ NPSR1 Q6W5P4 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 0.83 ELANE (0.50) ELANEKMT2ALMNATDP1PARP10
SCHEMBL23258827 0.80 ELANE (0.45) ELANEKMT2AMEN1LMNATDP1
SCHEMBL23258874 0.80 ELANE (0.45) ELANEKMT2AMEN1LMNATDP1
SCHEMBL23258611 0.79 ELANE (0.46) ELANEKMT2AMEN1LMNAPARP10
SCHEMBL23258561 0.78 ELANE (0.44) ELANEKMT2AMEN1MAPTNPC1
SCHEMBL27018128 0.78 ELANE (0.44) ELANEKMT2AMAPTALDH1A1KDM4E
SCHEMBL23249891 0.78 ELANE (0.44) ELANEKMT2AMEN1LMNACYP1A2
SCHEMBL27018499 0.76 TYR (0.43) ELANEKMT2AMEN1MAPTNPC1
SCHEMBL23258463 0.75 ELANE (0.42) ELANELMNAPARP10MAPTALDH1A1
SCHEMBL27018501 0.75 ELANE (0.47) ELANEKMT2ACYP1A2TDP1MAPT

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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