SCHEMBL30632575

SCHEMBL30632575

Cc1ccc(C(C)C)cc1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
PTGS1 P23219 2/20 0.58
TRPA1 O75762 2/20 0.58
CACNA1C Q13936 1/20 0.58
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
FABP3 P05413 2/20 0.40
FABP4 P15090 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
HIF1A Q16665 1/20 0.40
FABP5 Q01469 1/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RNASEH1 O60930 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL598620 1.00 LMNA (0.60) LMNAPTGS1TRPA1CACNA1CGABRA1
SCHEMBL15927660 0.86 LMNA (0.45) LMNAPTGS1TRPA1CACNA1CGABRA1
SCHEMBL24495400 0.86 LMNA (0.45) LMNAPTGS1TRPA1CACNA1CGABRA1
SCHEMBL30398529 0.84 PTGS1 (0.57) LMNAPTGS1TRPA1CACNA1CGABRA1
SCHEMBL25549846 0.84 LMNA (0.54) LMNAPTGS1TRPA1CACNA1CGABRA1
SCHEMBL19120766 0.84 LMNA (0.54) LMNAPTGS1TRPA1CACNA1CGABRA1
SCHEMBL22356523 0.84 LMNA (0.54) LMNAPTGS1TRPA1CACNA1CGABRA1
SCHEMBL5904899 0.82 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL25707318 0.81 LMNA (0.50) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL26938093 0.81 LMNA (0.41) LMNAPTGS1TRPA1CACNA1CGABRA1

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-111699156-B Layered zeolite precursors and methods of making same without sonication 雪佛龙美国公司 2023-12-15 CN disclosed