SCHEMBL30701932

SCHEMBL30701932

Cc1ccc(C(C)C)cc1-c1c(C)ccc(C(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
PTGS1 P23219 3/20 0.52
TRPA1 O75762 2/20 0.52
CACNA1C Q13936 1/20 0.52
HIF1A Q16665 3/20 0.42
HTT P42858 2/20 0.42
ALOX12 P18054 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PTGS2 P35354 1/20 0.40
RNASEH1 O60930 1/20 0.40
GABRA1 P14867 3/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2B P41595 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRB1 P18505 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CYP1A2 P05177 2/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL1243033 0.81 GABRA1 (0.52) LMNAPTGS1TRPA1CACNA1CHIF1A
SCHEMBL30099845 0.79 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CHIF1A
SCHEMBL6895630 0.76 PTGS1 (0.52) LMNAPTGS1TRPA1CACNA1CHIF1A
SCHEMBL31051327 0.74 LMNA (0.90) LMNAPTGS1TRPA1CACNA1CHIF1A
SCHEMBL1494556 0.72 GABRA1 (0.56) LMNAPTGS1TRPA1CACNA1CHIF1A
SCHEMBL10843605 0.72 LMNA (0.63) LMNAPTGS1TRPA1CACNA1CHIF1A
SCHEMBL2168007 0.71 LMNA (0.62) LMNAPTGS1TRPA1CACNA1CALOX12
SCHEMBL9618308 0.71 PTGS1 (0.46) LMNAPTGS1TRPA1CACNA1CHIF1A
SCHEMBL598620 0.71 LMNA (0.60) LMNAPTGS1TRPA1CACNA1CHIF1A
SCHEMBL9452689 0.71 LMNA (0.54) LMNAPTGS1TRPA1CACNA1CHIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117337868-A Plant source composite bacteriostatic agent microcapsule and preparation method and application thereof 渤海大学 2024-01-05 CN claimed
CN-117337868-A Plant source composite bacteriostatic agent microcapsule and preparation method and application thereof 渤海大学 2024-01-05 CN disclosed
CN-117337868-A Plant source composite bacteriostatic agent microcapsule and preparation method and application thereof 渤海大学 2024-01-05 CN disclosed