SCHEMBL28577289

SCHEMBL28577289

C=CC(=CC(C)C)c1ccc(O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ SLC22A8 Q8TCC7 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TRPA1 O75762 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAOB P27338 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ AR P10275 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL2937667 0.77 MEN1 (0.58) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL3751049 0.76 SLC22A6 (0.66) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL1490943 0.74 MEN1 (0.58) MEN1KMT2ASLC22A6SLC22A8RAB9A
Vanillic Acid SCHEMBL26622368 0.73 HTT (0.81) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL20897645 0.73 SLC22A6 (0.62) MEN1KMT2ASLC22A6SLC22A8RAB9A
Apocynin SCHEMBL31510122 0.72 HTT (0.63) MEN1KMT2ASLC22A6SLC22A8RAB9A
Vanillic Acid SCHEMBL30638774 0.71 HTT (0.83) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL28872919 0.71 KMT2A (0.58) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL18776640 0.71 HTT (0.67) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL4649592 0.71 MEN1 (0.63) MEN1KMT2ASLC22A6SLC22A8RAB9A

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-112739803-A Fragrance composition containing norbornene derivative 普罗米鲁斯有限责任公司 2021-04-30 — — CN disclosed
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