P-Cymene

P-Cymene

SCHEMBL30953569

Cc1ccc(C(C)C)cc1.[In+3].[In+3].[Ru+2]

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNA7 P36544 1/20 0.48
TYR P14679 2/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 1/20 0.44
PTGS1 P23219 2/20 0.42
HTT P42858 1/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
IDO1 P14902 2/20 0.41
CNR2 P34972 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
ALOX5 P09917 1/20 0.40
MGLL Q99685 1/20 0.39
PTGS2 P35354 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
P-Cymene SCHEMBL31300110 1.00 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL30110903 1.00 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL14954261 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL30844107 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL5179600 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL14954060 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL14954075 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL3697148 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL14954258 0.97 ACHE (0.47) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL1697748 0.97 ACHE (0.53) ACHETDP1CHRNA7TYRBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886819-A Synthesis method of L-5-methyltetrahydrofolate and calcium salt thereof 无锡紫杉药业股份有限公司 2024-04-16 CN claimed
CN-117886819-A Synthesis method of L-5-methyltetrahydrofolate and calcium salt thereof 无锡紫杉药业股份有限公司 2024-04-16 CN disclosed