SCHEMBL30662002

SCHEMBL30662002

CC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)C)c(C(C)(C)C)c2)Oc2ccc(C(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ESRRA P11474 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ INPPL1 O15357 1/20 0.33
▸ INPP5A Q14642 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL2802655 1.00 CYP3A4 (0.47) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL29144357 0.85 TSHR (0.46) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL30688986 0.85 GPR84 (0.41) CYP3A4TSHRALDH1A1ESRRACA1
SCHEMBL29138433 0.85 INPPL1 (0.52) ALDH1A1ESRRACA1CA2INPPL1
SCHEMBL6897860 0.83 ALDH1A1 (0.58) ALDH1A1ESRRANR1H4ATMPOLB
SCHEMBL25933559 0.78 CYP3A4 (0.42) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL13474892 0.76 ESRRA (0.49) ALDH1A1MAPK1ESRRACA1CA2
SCHEMBL4338446 0.76 CA2 (0.59) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL7633156 0.74 CYP3A4 (0.37) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL6847966 0.74 ALDH1A1 (0.51) CYP3A4TSHRALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242103-A Methyl methacrylate-containing composition and method for producing methyl methacrylate polymer 三菱化学株式会社 2023-12-15 — — CN disclosed
CN-117203245-A Methyl methacrylate-containing composition and method for producing methyl methacrylate polymer 三菱化学株式会社 2023-12-08 — — CN disclosed
CN-117203249-A Composition containing methyl methacrylate 三菱化学株式会社 2023-12-08 — — CN disclosed
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