SCHEMBL29934243

SCHEMBL29934243

CC1=CCC2C(C)(C)CCCC2(C)C1CC/C(C)=C\C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 10/20 0.49
CDC25A P30304 8/20 0.47
ATP1A1 P05023 1/20 0.47
ATP1B1 P05026 1/20 0.47
ATP1A3 P13637 1/20 0.47
ATP1B2 P14415 1/20 0.47
ATP1A2 P50993 1/20 0.47
ATP1B3 P54709 1/20 0.47
FXYD2 P54710 1/20 0.47
ATP1A4 Q13733 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
PTPN1 P18031 5/20 0.47
TAS2R31 P59538 1/20 0.45
ALOX15 P16050 3/20 0.42
HPGD P15428 1/20 0.42
TRPA1 O75762 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL3121878 0.87 DUSP3 (0.51) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL5444056 0.87 ATP1A1 (0.50) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL5444054 0.87 ATP1A1 (0.50) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL4192628 0.85 ATP1A1 (0.54) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL4192630 0.85 ATP1A1 (0.54) DUSP3CDC25AATP1A1ATP1B1ATP1A3
Copalic Acid SCHEMBL25221800 0.80 TAS2R31 (0.66) MAPKAPK2PTPN1TAS2R31
Copalic Acid SCHEMBL34460866 0.80 TAS2R31 (0.66) MAPKAPK2PTPN1TAS2R31
Copalic Acid SCHEMBL29481956 0.80 TAS2R31 (0.66) MAPKAPK2PTPN1TAS2R31
SCHEMBL21646204 0.78 DUSP3 (0.54) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL19214454 0.78 DUSP3 (0.56) DUSP3CDC25AATP1A1ATP1B1ATP1A3

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed