SCHEMBL28836233

SCHEMBL28836233

C=C(C)C(=O)OCC.Cc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ MAOA P21397 1/20 0.51
▸ GAA P10253 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ACHE P22303 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TEAD4 Q15561 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PPIB P23284 1/20 0.40
▸ PPIA P62937 1/20 0.40

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
Urea SCHEMBL28836231 0.97 LMNA (0.49) LMNACYP1A2CYP3A4MAOAGAA
SCHEMBL27638885 0.88 LMNA (0.53) LMNACYP1A2CYP3A4MAOAGAA
Benzoyl Peroxide SCHEMBL28260206 0.86 LMNA (0.50) LMNACYP1A2CYP3A4MAOAGAA
Aniline SCHEMBL1256544 0.86 ALDH1A1 (0.54) LMNACYP1A2CYP3A4MAOAGAA
Aminobenzoic Acid SCHEMBL28923745 0.85 LMNA (0.56) LMNACYP1A2CYP3A4MAOAHTT
Ethyl Acetate SCHEMBL28273284 0.82 LMNA (0.58) LMNACYP1A2CYP3A4MAOAGAA
Ethyl Acetate SCHEMBL27392997 0.80 LMNA (0.56) LMNACYP1A2CYP3A4MAOAGAA
P-Xylene SCHEMBL11360520 0.80 THRB (0.57) LMNAGAAHTTSMN1; SMN2THRB
Hydroxyamine SCHEMBL29435122 0.79 THRB (0.59) LMNAGAATHRBALDH1A1MAPT
Methylamine SCHEMBL202768 0.79 THRB (0.59) LMNAGAATHRBALDH1A1MAPT

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-115052912-A High Tg acrylate copolymers with nitrogen-containing aromatic heterocyclic groups 德莎欧洲股份公司 2022-09-13 — — CN disclosed
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