SCHEMBL29138433

SCHEMBL29138433

CC(C)(C)c1ccc(OP(=O)(O)O)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 7/20 0.52
▸ INPP5A Q14642 5/20 0.52
▸ SRC P12931 2/20 0.44
▸ BLM P54132 1/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ INPP5B P32019 1/20 0.39
▸ ESRRA P11474 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ STS P08842 1/20 0.36
▸ AKT1 P31749 1/20 0.35

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
SCHEMBL11575621 0.86 ALDH1A1 (0.57) INPPL1INPP5AALDH1A1ESRRA
SCHEMBL30662002 0.85 CYP3A4 (0.47) INPPL1INPP5ACA1CA2ALDH1A1
SCHEMBL2802655 0.85 CYP3A4 (0.47) INPPL1INPP5ACA1CA2ALDH1A1
SCHEMBL30688986 0.81 GPR84 (0.41) INPPL1INPP5ACA1CA2ALDH1A1
SCHEMBL11308547 0.79 CA2 (0.57) INPPL1INPP5ASRCCA1CA2
SCHEMBL10681450 0.77 INPPL1 (0.47) INPPL1INPP5ASRCBLMCA1
SCHEMBL284462 0.75 SRC (0.54) INPPL1INPP5ASRCBLMCA1
SCHEMBL13474892 0.73 ESRRA (0.49) CA1CA2ALDH1A1ESRRAKDM4E
SCHEMBL8386637 0.73 INPPL1 (0.65) INPPL1INPP5ASRCBLMCA1
SCHEMBL6545239 0.73 SRC (0.52) INPPL1INPP5ASRCBLMCA1

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-117355501-A Methyl methacrylate-containing composition, method for preserving methyl methacrylate-containing composition, and method for producing methyl methacrylate polymer 三菱化学株式会社 2024-01-05 — — CN disclosed
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