P-Cymene

P-Cymene

SCHEMBL11546154

C=CC(=C)C.Cc1ccc(C(C)C)cc1

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ STAT3 P40763 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TYR P14679 2/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ TGM2 P21980 1/20 0.37
▸ ACHE P22303 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ANXA2 P07355 1/20 0.36
▸ S100A10 P60903 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN2A Q99250 1/20 0.36

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 SCHEMBL27582590 0.83 KDM4E (0.53) ALDH1A1STAT3CYP2C9TYRTGM2
P-Cymene SCHEMBL11358150 0.82 TYR (0.44) ALDH1A1STAT3CYP2C9TYRPTGS1
P-Cymene SCHEMBL27783829 0.80 TGM2 (0.43) STAT3CYP2C9TYRTGM2ACHE
P-Cymene SCHEMBL1073347 0.79 ACHE (0.47) CYP2C9TYRPTGS1ACHEBCHE
P-Cymene SCHEMBL27355344 0.79 ACHE (0.47) CYP2C9TYRPTGS1ACHEBCHE
P-Cymene SCHEMBL1143 0.79 ACHE (0.53) TYRPTGS1PTGS2ACHEBCHE
P-Cymene SCHEMBL1697748 0.79 ACHE (0.53) TYRPTGS1PTGS2ACHEBCHE
P-Cymene SCHEMBL10723652 0.78 CNR2 (0.41) TSHRCYP2C9TYRPTGS1PTGS2
Myrcene SCHEMBL3959469 0.77 TSHR (0.59) ALDH1A1TSHRSTAT3PTGS1ACHE
P-Cymene SCHEMBL23798852 0.77 ACHE (0.41) ALDH1A1TP53STAT3CYP2C9TYR

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
US-4140690-A OXIDES OF BISMUTH AND ANTIMONY OR OXIDE OF ANTIMONY WITH IRON OXIDE OR URANIUM OXIDE AS CATALYST THE STANDARD OIL COMPANY (US) 1979-02-20 — — US disclosed
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