P-Cymene

P-Cymene

SCHEMBL30375654

Cc1ccc(C(C)C)cc1.[Fe]

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 SCHEMBL1143 0.97 ACHE (0.53) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL1697748 0.97 ACHE (0.53) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL31578509 0.94 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL13735610 0.94 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL31300110 0.94 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL31606590 0.94 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL3684076 0.94 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL31116717 0.94 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL4860410 0.94 ACHE (0.50) ACHETDP1CHRNA7TYRBCHE
P-Cymene SCHEMBL30953569 0.94 ACHE (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113343241-B Dynamic label generation method based on online malicious software scanning platform 南京中孚信息技术有限公司 2023-04-11 — — CN disclosed
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