SCHEMBL28791104

SCHEMBL28791104

CC(C)(C)OC(=O)c1cc[c]cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
EGFR P00533 1/20 0.32
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
ELANE P08246 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 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
SCHEMBL6945827 0.84 CA12 (0.35) CA12CA1CA2CA9CA14
SCHEMBL27697960 0.80 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL27768243 0.80 NR3C2 (0.34) CA12CA1CA2CA9CA14
SCHEMBL11474155 0.80 EGFR (0.35) CA12CA1CA2CA9CA14
SCHEMBL27383305 0.80 EGFR (0.35) CA12CA1CA2CA9CA14
SCHEMBL2876923 0.79 LMNA (0.32) CA2
SCHEMBL27833658 0.75 MAPT (0.36) ELANEMAPTHSD17B10
SCHEMBL12988542 0.75 TSHR (0.42) CA2ADRA1AADRA1BELANEMAPT
SCHEMBL28018277 0.72 P2RX7 (0.34) CA12CA1CA2CA9
SCHEMBL27323003 0.72 GRM6 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3

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
CN-114007605-B Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed