SCHEMBL23259198

SCHEMBL23259198

CC(C)c1cccc(=O)c(OC(=O)OC(C)(C)C)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ FAAH O00519 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35

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
SCHEMBL23258467 0.81 SCN5A (0.40) SCN5ASCN9ASCN10AELANE
SCHEMBL23258801 0.76 SCN5A (0.40) SCN5ASCN9ASCN10AELANEFAAH
SCHEMBL23263208 0.73 ELANE (0.37) SCN5ASCN9ASCN10AELANECA1
SCHEMBL17549496 0.72 SCN5A (0.41) SCN5ASCN9ASCN10A
SCHEMBL4057083 0.72 ELANE (0.47) ELANECA2TSHR
SCHEMBL23258869 0.71 ELANE (0.42) ELANECA2TSHR
SCHEMBL956898 0.70 ELANE (0.46) ELANECA2
SCHEMBL23263166 0.69 ELANE (0.34) ELANECYP1A2
SCHEMBL23258871 0.69 ELANE (0.41) ELANELMNACYP1A2GABRA1GABRG2
SCHEMBL1952758 0.69 SCN5A (0.58) SCN5ASCN9ASCN10AFAAHCA1

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